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

Systemtic Name: 4-[(3-cyanophenyl)amino]-3-nitro-benzoic acid Openeye Name: 4-(3-cyanoanilino)-3-nitro-benzoic acid CAS Name: 4-(3-cyanoanilino)-3-nitrobenzoic acid IUPAC Name: 4-(3-cyanoanilino)-3-nitrobenzoic acid Traditional Name: 4-(3-cyanoanilino)-3-nitro-benzoic acid Formula: C14H9N3O4 MolecularWeight: 283.23896

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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-])C#N

Isomeric SMILES

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

InChI

InChI=1S/C14H9N3O4/c15-8-9-2-1-3-11(6-9)16-12-5-4-10(14(18)19)7-13(12)17(20)21/h1-7,16H,(H,18,19)