2-[(4-cyanophenyl)amino]-2-(3-methyl-5-nitro-phenyl)ethanoic acid

Systemtic Name: 2-[(4-cyanophenyl)amino]-2-(3-methyl-5-nitro-phenyl)ethanoic acid Openeye Name: 2-(4-cyanoanilino)-2-(3-methyl-5-nitro-phenyl)acetic acid CAS Name: 2-(4-cyanoanilino)-2-(3-methyl-5-nitrophenyl)acetic acid IUPAC Name: 2-(4-cyanoanilino)-2-(3-methyl-5-nitrophenyl)acetic acid Traditional Name: 2-(4-cyanoanilino)-2-(3-methyl-5-nitro-phenyl)acetic acid Formula: C16H13N3O4 MolecularWeight: 311.29212

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)[N+](=O)[O-])C(C(=O)O)NC2=CC=C(C=C2)C#N

Isomeric SMILES

CC1=CC(=CC(=C1)[N+](=O)[O-])C(C(=O)O)NC2=CC=C(C=C2)C#N

InChI

InChI=1S/C16H13N3O4/c1-10-6-12(8-14(7-10)19(22)23)15(16(20)21)18-13-4-2-11(9-17)3-5-13/h2-8,15,18H,1H3,(H,20,21)