3-[3-(2-cyanophenyl)propanoylamino]-4-nitro-benzoic acid

Systemtic Name: 3-[3-(2-cyanophenyl)propanoylamino]-4-nitro-benzoic acid Openeye Name: 3-[3-(2-cyanophenyl)propanoylamino]-4-nitro-benzoic acid CAS Name: 3-[[3-(2-cyanophenyl)-1-oxopropyl]amino]-4-nitrobenzoic acid IUPAC Name: 3-[3-(2-cyanophenyl)propanoylamino]-4-nitrobenzoic acid Traditional Name: 3-[3-(2-cyanophenyl)propanoylamino]-4-nitro-benzoic acid Formula: C17H13N3O5 MolecularWeight: 339.30222

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H13N3O5/c18-10-13-4-2-1-3-11(13)6-8-16(21)19-14-9-12(17(22)23)5-7-15(14)20(24)25/h1-5,7,9H,6,8H2,(H,19,21)(H,22,23)