[1-[(2-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 3-ethoxy-4-methoxy-benzoate

Systemtic Name: [1-[(2-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 3-ethoxy-4-methoxy-benzoate Openeye Name: [1-methyl-2-(2-nitroanilino)-2-oxo-ethyl] 3-ethoxy-4-methoxy-benzoate CAS Name: 3-ethoxy-4-methoxybenzoic acid [1-(2-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-nitroanilino)-1-oxopropan-2-yl] 3-ethoxy-4-methoxybenzoate Traditional Name: 3-ethoxy-4-methoxy-benzoic acid [2-keto-1-methyl-2-(2-nitroanilino)ethyl] ester Formula: C19H20N2O7 MolecularWeight: 388.3713

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20N2O7/c1-4-27-17-11-13(9-10-16(17)26-3)19(23)28-12(2)18(22)20-14-7-5-6-8-15(14)21(24)25/h5-12H,4H2,1-3H3,(H,20,22)