2-{[(4-Methyl-2-oxo-2H-chromen-7-yl)amino]carbonyl}benzoic acid
4094
Reference
2-{[(4-Methyl-2-oxo-2H-chromen-7-yl)amino]carbonyl}benzoic acid Structure
Systematic / IUPAC Name: 2-[(4-Methyl-2-oxo-2H-chromen-7-yl)carbamoyl]benzoic acid
ID: Reference4094
Other Names: Benzoic acid, 2-{[(4-methyl-2-oxo-2H-1-benzopyran-7-yl)amino]carbonyl}-
Formula: C18H13NO5
Spectral Data
2-{[(4-Methyl-2-oxo-2H-chromen-7-yl)amino]carbonyl}benzoic acid mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.
Available MS Data
| Used Instruments | Q Exactive Orbitrap |
| No. of Spectral Trees | 2 |
| No. of Spectra | 225 |
| Tandem Spectra | MS1, MS2 |
| Ionization Methods | ESI |
| Analyzers | FT |
| Last Modification | 3/8/2016 8:17:59 AM |
Identificators
| InChI | InChI=1S/C18H13NO5/c1-10-8-16(20)24-15-9-11(6-7-12(10)15)19-17(21)13-4-2-3-5-14(13)18(22)23/h2-9H,1H3,(H,19,21)(H,22,23) |
| InChI Key | JNTKEAMBUQPWJO-UHFFFAOYSA-N |
| Canonical SMILES | CC1=CC(=O)OC2=C1C=CC(=C2)NC(=O)C3=CC=CC=C3C(=O)O |
| CAS | |
| Splash | |
| Other Names | Benzoic acid, 2-{[(4-methyl-2-oxo-2H-1-benzopyran-7-yl)amino]carbonyl}- |
In Other Databases
| ChEMBL | CHEMBL1308193 |
| PubChem | 2813386 |
| ChemSpider | 2091787 |