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

Systemtic Name: 4-(1-nitroethyl)-3-[2-[2-(4-phenylphenyl)ethoxy]ethanoylamino]benzoic acid Openeye Name: 4-(1-nitroethyl)-3-[[2-[2-(4-phenylphenyl)ethoxy]acetyl]amino]benzoic acid CAS Name: 4-(1-nitroethyl)-3-[[1-oxo-2-[2-(4-phenylphenyl)ethoxy]ethyl]amino]benzoic acid IUPAC Name: 4-(1-nitroethyl)-3-[[2-[2-(4-phenylphenyl)ethoxy]acetyl]amino]benzoic acid Traditional Name: 4-(1-nitroethyl)-3-[[2-[2-(4-phenylphenyl)ethoxy]acetyl]amino]benzoic acid Formula: C25H24N2O6 MolecularWeight: 448.46786

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=C(C=C(C=C1)C(=O)O)NC(=O)COCCC2=CC=C(C=C2)C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C1=C(C=C(C=C1)C(=O)O)NC(=O)COCCC2=CC=C(C=C2)C3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C25H24N2O6/c1-17(27(31)32)22-12-11-21(25(29)30)15-23(22)26-24(28)16-33-14-13-18-7-9-20(10-8-18)19-5-3-2-4-6-19/h2-12,15,17H,13-14,16H2,1H3,(H,26,28)(H,29,30)