ethyl 3-[3-(2-methylphenyl)propanoylamino]-4-nitro-benzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1)[N+](=O)[O-])NC(=O)CCC2=CC=CC=C2C

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1)[N+](=O)[O-])NC(=O)CCC2=CC=CC=C2C

InChI

InChI=1S/C19H20N2O5/c1-3-26-19(23)15-8-10-17(21(24)25)16(12-15)20-18(22)11-9-14-7-5-4-6-13(14)2/h4-8,10,12H,3,9,11H2,1-2H3,(H,20,22)