4-[(3-aminophenyl)amino]-3-nitro-benzoic acid

Systemtic Name: 4-[(3-aminophenyl)amino]-3-nitro-benzoic acid Openeye Name: 4-(3-aminoanilino)-3-nitro-benzoic acid CAS Name: 4-(3-aminoanilino)-3-nitrobenzoic acid IUPAC Name: 4-(3-aminoanilino)-3-nitrobenzoic acid Traditional Name: 4-(3-aminoanilino)-3-nitro-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)C(=O)O)[N+](=O)[O-])N

Isomeric SMILES

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

InChI

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