[2-oxidanylidene-2-[(4-propoxycarbonylphenyl)amino]ethyl] 3-methyl-4-nitro-benzoate

Systemtic Name: [2-oxidanylidene-2-[(4-propoxycarbonylphenyl)amino]ethyl] 3-methyl-4-nitro-benzoate Openeye Name: [2-oxo-2-(4-propoxycarbonylanilino)ethyl] 3-methyl-4-nitro-benzoate CAS Name: 3-methyl-4-nitrobenzoic acid [2-oxo-2-[4-[oxo(propoxy)methyl]anilino]ethyl] ester IUPAC Name: [2-oxo-2-(4-propoxycarbonylanilino)ethyl] 3-methyl-4-nitrobenzoate Traditional Name: 3-methyl-4-nitro-benzoic acid [2-keto-2-(4-propoxycarbonylanilino)ethyl] ester Formula: C20H20N2O7 MolecularWeight: 400.382

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=CC=C(C=C1)NC(=O)COC(=O)C2=CC(=C(C=C2)[N+](=O)[O-])C

Isomeric SMILES

CCCOC(=O)C1=CC=C(C=C1)NC(=O)COC(=O)C2=CC(=C(C=C2)[N+](=O)[O-])C

InChI

InChI=1S/C20H20N2O7/c1-3-10-28-19(24)14-4-7-16(8-5-14)21-18(23)12-29-20(25)15-6-9-17(22(26)27)13(2)11-15/h4-9,11H,3,10,12H2,1-2H3,(H,21,23)