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

Systemtic Name: 4-(1-nitroethyl)-3-[3-(2-phenylphenyl)propanoylamino]benzoic acid Openeye Name: 4-(1-nitroethyl)-3-[3-(2-phenylphenyl)propanoylamino]benzoic acid CAS Name: 4-(1-nitroethyl)-3-[[1-oxo-3-(2-phenylphenyl)propyl]amino]benzoic acid IUPAC Name: 4-(1-nitroethyl)-3-[3-(2-phenylphenyl)propanoylamino]benzoic acid Traditional Name: 4-(1-nitroethyl)-3-[3-(2-phenylphenyl)propanoylamino]benzoic acid Formula: C24H22N2O5 MolecularWeight: 418.44188

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=C(C=C(C=C1)C(=O)O)NC(=O)CCC2=CC=CC=C2C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C1=C(C=C(C=C1)C(=O)O)NC(=O)CCC2=CC=CC=C2C3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C24H22N2O5/c1-16(26(30)31)20-13-11-19(24(28)29)15-22(20)25-23(27)14-12-18-9-5-6-10-21(18)17-7-3-2-4-8-17/h2-11,13,15-16H,12,14H2,1H3,(H,25,27)(H,28,29)