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

Systemtic Name: 2-[(4-cyanophenyl)amino]-2-(3-ethyl-4-nitro-phenyl)ethanoic acid Openeye Name: 2-(4-cyanoanilino)-2-(3-ethyl-4-nitro-phenyl)acetic acid CAS Name: 2-(4-cyanoanilino)-2-(3-ethyl-4-nitrophenyl)acetic acid IUPAC Name: 2-(4-cyanoanilino)-2-(3-ethyl-4-nitrophenyl)acetic acid Traditional Name: 2-(4-cyanoanilino)-2-(3-ethyl-4-nitro-phenyl)acetic acid Formula: C17H15N3O4 MolecularWeight: 325.3187

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1)C(C(=O)O)NC2=CC=C(C=C2)C#N)[N+](=O)[O-]

Isomeric SMILES

CCC1=C(C=CC(=C1)C(C(=O)O)NC2=CC=C(C=C2)C#N)[N+](=O)[O-]

InChI

InChI=1S/C17H15N3O4/c1-2-12-9-13(5-8-15(12)20(23)24)16(17(21)22)19-14-6-3-11(10-18)4-7-14/h3-9,16,19H,2H2,1H3,(H,21,22)