3-[3-[4-(2-cyanophenyl)phenyl]propanoylamino]-4-(1-nitroethyl)benzoic acid

Systemtic Name: 3-[3-[4-(2-cyanophenyl)phenyl]propanoylamino]-4-(1-nitroethyl)benzoic acid Openeye Name: 3-[3-[4-(2-cyanophenyl)phenyl]propanoylamino]-4-(1-nitroethyl)benzoic acid CAS Name: 3-[[3-[4-(2-cyanophenyl)phenyl]-1-oxopropyl]amino]-4-(1-nitroethyl)benzoic acid IUPAC Name: 3-[3-[4-(2-cyanophenyl)phenyl]propanoylamino]-4-(1-nitroethyl)benzoic acid Traditional Name: 3-[3-[4-(2-cyanophenyl)phenyl]propanoylamino]-4-(1-nitroethyl)benzoic acid Formula: C25H21N3O5 MolecularWeight: 443.45134

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=C(C=C(C=C1)C(=O)O)NC(=O)CCC2=CC=C(C=C2)C3=CC=CC=C3C#N)[N+](=O)[O-]

Isomeric SMILES

CC(C1=C(C=C(C=C1)C(=O)O)NC(=O)CCC2=CC=C(C=C2)C3=CC=CC=C3C#N)[N+](=O)[O-]

InChI

InChI=1S/C25H21N3O5/c1-16(28(32)33)21-12-11-19(25(30)31)14-23(21)27-24(29)13-8-17-6-9-18(10-7-17)22-5-3-2-4-20(22)15-26/h2-7,9-12,14,16H,8,13H2,1H3,(H,27,29)(H,30,31)