2-[(4-azanyl-2-nitro-phenyl)amino]-3-methoxy-benzoic acid

Systemtic Name: 2-[(4-azanyl-2-nitro-phenyl)amino]-3-methoxy-benzoic acid Openeye Name: 2-(4-amino-2-nitro-anilino)-3-methoxy-benzoic acid CAS Name: 2-(4-amino-2-nitroanilino)-3-methoxybenzoic acid IUPAC Name: 2-(4-amino-2-nitroanilino)-3-methoxybenzoic acid Traditional Name: 2-(4-amino-2-nitro-anilino)-3-methoxy-benzoic acid Formula: C14H13N3O5 MolecularWeight: 303.27012

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1NC2=C(C=C(C=C2)N)[N+](=O)[O-])C(=O)O

Isomeric SMILES

COC1=CC=CC(=C1NC2=C(C=C(C=C2)N)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C14H13N3O5/c1-22-12-4-2-3-9(14(18)19)13(12)16-10-6-5-8(15)7-11(10)17(20)21/h2-7,16H,15H2,1H3,(H,18,19)