2-[(4-cyanophenyl)amino]-2-(4-methoxy-3-nitro-phenyl)ethanoic acid

Systemtic Name: 2-[(4-cyanophenyl)amino]-2-(4-methoxy-3-nitro-phenyl)ethanoic acid Openeye Name: 2-(4-cyanoanilino)-2-(4-methoxy-3-nitro-phenyl)acetic acid CAS Name: 2-(4-cyanoanilino)-2-(4-methoxy-3-nitrophenyl)acetic acid IUPAC Name: 2-(4-cyanoanilino)-2-(4-methoxy-3-nitrophenyl)acetic acid Traditional Name: 2-(4-cyanoanilino)-2-(4-methoxy-3-nitro-phenyl)acetic acid Formula: C16H13N3O5 MolecularWeight: 327.29152

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(C(=O)O)NC2=CC=C(C=C2)C#N)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)C(C(=O)O)NC2=CC=C(C=C2)C#N)[N+](=O)[O-]

InChI

InChI=1S/C16H13N3O5/c1-24-14-7-4-11(8-13(14)19(22)23)15(16(20)21)18-12-5-2-10(9-17)3-6-12/h2-8,15,18H,1H3,(H,20,21)