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

Systemtic Name: 3-[(2-azanyl-4-nitro-phenyl)amino]benzoic acid Openeye Name: 3-(2-amino-4-nitro-anilino)benzoic acid CAS Name: 3-(2-amino-4-nitroanilino)benzoic acid IUPAC Name: 3-(2-amino-4-nitroanilino)benzoic acid Traditional Name: 3-(2-amino-4-nitro-anilino)benzoic acid Formula: C13H11N3O4 MolecularWeight: 273.24414

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC2=C(C=C(C=C2)[N+](=O)[O-])N)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)NC2=C(C=C(C=C2)[N+](=O)[O-])N)C(=O)O

InChI

InChI=1S/C13H11N3O4/c14-11-7-10(16(19)20)4-5-12(11)15-9-3-1-2-8(6-9)13(17)18/h1-7,15H,14H2,(H,17,18)