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

Systemtic Name: [2-[(4-ethoxy-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 3,4-diethoxybenzoate Openeye Name: [2-(4-ethoxy-2-nitro-anilino)-2-oxo-ethyl] 3,4-diethoxybenzoate CAS Name: 3,4-diethoxybenzoic acid [2-(4-ethoxy-2-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-ethoxy-2-nitroanilino)-2-oxoethyl] 3,4-diethoxybenzoate Traditional Name: 3,4-diethoxybenzoic acid [2-(4-ethoxy-2-nitro-anilino)-2-keto-ethyl] ester Formula: C21H24N2O8 MolecularWeight: 432.42386

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O8/c1-4-28-15-8-9-16(17(12-15)23(26)27)22-20(24)13-31-21(25)14-7-10-18(29-5-2)19(11-14)30-6-3/h7-12H,4-6,13H2,1-3H3,(H,22,24)