2-[(2-methyl-5-nitro-phenyl)amino]pyridine-3-carboxylic acid

Systemtic Name: 2-[(2-methyl-5-nitro-phenyl)amino]pyridine-3-carboxylic acid Openeye Name: 2-(2-methyl-5-nitro-anilino)pyridine-3-carboxylic acid CAS Name: 2-(2-methyl-5-nitroanilino)-3-pyridinecarboxylic acid IUPAC Name: 2-(2-methyl-5-nitroanilino)pyridine-3-carboxylic acid Traditional Name: 2-(2-methyl-5-nitro-anilino)nicotinic acid Formula: C13H11N3O4 MolecularWeight: 273.24414

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])NC2=C(C=CC=N2)C(=O)O

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])NC2=C(C=CC=N2)C(=O)O

InChI

InChI=1S/C13H11N3O4/c1-8-4-5-9(16(19)20)7-11(8)15-12-10(13(17)18)3-2-6-14-12/h2-7H,1H3,(H,14,15)(H,17,18)