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

Systemtic Name: 3-[3-(2-methylphenyl)propanoylamino]-4-(1-nitroethyl)benzoic acid Openeye Name: 4-(1-nitroethyl)-3-[3-(o-tolyl)propanoylamino]benzoic acid CAS Name: 3-[[3-(2-methylphenyl)-1-oxopropyl]amino]-4-(1-nitroethyl)benzoic acid IUPAC Name: 3-[3-(2-methylphenyl)propanoylamino]-4-(1-nitroethyl)benzoic acid Traditional Name: 4-(1-nitroethyl)-3-[3-(o-tolyl)propanoylamino]benzoic acid Formula: C19H20N2O5 MolecularWeight: 356.3725

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CCC(=O)NC2=C(C=CC(=C2)C(=O)O)C(C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1CCC(=O)NC2=C(C=CC(=C2)C(=O)O)C(C)[N+](=O)[O-]

InChI

InChI=1S/C19H20N2O5/c1-12-5-3-4-6-14(12)8-10-18(22)20-17-11-15(19(23)24)7-9-16(17)13(2)21(25)26/h3-7,9,11,13H,8,10H2,1-2H3,(H,20,22)(H,23,24)