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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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