BNY
Summary
| Name: | 2-[(2-methyl-3-nitrophenyl)amino]benzoic acid |
| Formula: | C14 H12 N2 O4 |
| Formal charge: | 0 |
| Formula weight: | 272.256 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-[(2-methyl-3-nitrophenyl)amino]benzoic acid |
| OpenEye OEToolkits | 2.0.6 | 2-[(2-methyl-3-nitro-phenyl)amino]benzoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(c2ccccc2Nc1c(c(N(=O)=O)ccc1)C)O |
| InChI | InChI | 1.03 | InChI=1S/C14H12N2O4/c1-9-11(7-4-8-13(9)16(19)20)15-12-6-3-2-5-10(12)14(17)18/h2-8,15H,1H3,(H,17,18) |
| InChIKey | InChI | 1.03 | HDSHJLYBOCCRCF-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1c(Nc2ccccc2C(O)=O)cccc1[N](=O)=O |
| SMILES | CACTVS | 3.385 | Cc1c(Nc2ccccc2C(O)=O)cccc1[N](=O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | Cc1c(cccc1N(=O)=O)Nc2ccccc2C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | Cc1c(cccc1N(=O)=O)Nc2ccccc2C(=O)O |
