[2-[(4,5-dimethyl-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 3-(ethoxymethyl)-4-methoxy-benzoate

Systemtic Name: [2-[(4,5-dimethyl-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 3-(ethoxymethyl)-4-methoxy-benzoate Openeye Name: [2-(4,5-dimethyl-2-nitro-anilino)-2-oxo-ethyl] 3-(ethoxymethyl)-4-methoxy-benzoate CAS Name: 3-(ethoxymethyl)-4-methoxybenzoic acid [2-(4,5-dimethyl-2-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4,5-dimethyl-2-nitroanilino)-2-oxoethyl] 3-(ethoxymethyl)-4-methoxybenzoate Traditional Name: 3-(ethoxymethyl)-4-methoxy-benzoic acid [2-(4,5-dimethyl-2-nitro-anilino)-2-keto-ethyl] ester Formula: C21H24N2O7 MolecularWeight: 416.42446

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Descriptors Computed from Structure

Canonical SMILES:

CCOCC1=C(C=CC(=C1)C(=O)OCC(=O)NC2=C(C=C(C(=C2)C)C)[N+](=O)[O-])OC

Isomeric SMILES

CCOCC1=C(C=CC(=C1)C(=O)OCC(=O)NC2=C(C=C(C(=C2)C)C)[N+](=O)[O-])OC

InChI

InChI=1S/C21H24N2O7/c1-5-29-11-16-10-15(6-7-19(16)28-4)21(25)30-12-20(24)22-17-8-13(2)14(3)9-18(17)23(26)27/h6-10H,5,11-12H2,1-4H3,(H,22,24)