[2-(4-methyl-3-nitro-phenyl)-2-oxidanylidene-ethyl] 3,4-diethoxybenzoate

Systemtic Name: [2-(4-methyl-3-nitro-phenyl)-2-oxidanylidene-ethyl] 3,4-diethoxybenzoate Openeye Name: [2-(4-methyl-3-nitro-phenyl)-2-oxo-ethyl] 3,4-diethoxybenzoate CAS Name: 3,4-diethoxybenzoic acid [2-(4-methyl-3-nitrophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methyl-3-nitrophenyl)-2-oxoethyl] 3,4-diethoxybenzoate Traditional Name: 3,4-diethoxybenzoic acid [2-keto-2-(4-methyl-3-nitro-phenyl)ethyl] ester Formula: C20H21NO7 MolecularWeight: 387.38324

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21NO7/c1-4-26-18-9-8-15(11-19(18)27-5-2)20(23)28-12-17(22)14-7-6-13(3)16(10-14)21(24)25/h6-11H,4-5,12H2,1-3H3