[1-[(3-methylphenyl)amino]-1-oxidanylidene-propan-2-yl] 4-ethoxy-3-nitro-benzoate

Systemtic Name: [1-[(3-methylphenyl)amino]-1-oxidanylidene-propan-2-yl] 4-ethoxy-3-nitro-benzoate Openeye Name: [1-methyl-2-(3-methylanilino)-2-oxo-ethyl] 4-ethoxy-3-nitro-benzoate CAS Name: 4-ethoxy-3-nitrobenzoic acid [1-(3-methylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3-methylanilino)-1-oxopropan-2-yl] 4-ethoxy-3-nitrobenzoate Traditional Name: 4-ethoxy-3-nitro-benzoic acid [2-keto-1-methyl-2-(m-toluidino)ethyl] ester Formula: C19H20N2O6 MolecularWeight: 372.3719

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)OC(C)C(=O)NC2=CC=CC(=C2)C)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)OC(C)C(=O)NC2=CC=CC(=C2)C)[N+](=O)[O-]

InChI

InChI=1S/C19H20N2O6/c1-4-26-17-9-8-14(11-16(17)21(24)25)19(23)27-13(3)18(22)20-15-7-5-6-12(2)10-15/h5-11,13H,4H2,1-3H3,(H,20,22)