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

Systemtic Name: [2-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]-2-oxidanylidene-ethyl] 3-methyl-4-nitro-benzoate Openeye Name: [2-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]-2-oxo-ethyl] 3-methyl-4-nitro-benzoate CAS Name: 3-methyl-4-nitrobenzoic acid [2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-2-oxoethyl] 3-methyl-4-nitrobenzoate Traditional Name: 3-methyl-4-nitro-benzoic acid [2-[homoveratryl(methyl)amino]-2-keto-ethyl] ester Formula: C21H24N2O7 MolecularWeight: 416.42446

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)OCC(=O)N(C)CCC2=CC(=C(C=C2)OC)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)OCC(=O)N(C)CCC2=CC(=C(C=C2)OC)OC)[N+](=O)[O-]

InChI

InChI=1S/C21H24N2O7/c1-14-11-16(6-7-17(14)23(26)27)21(25)30-13-20(24)22(2)10-9-15-5-8-18(28-3)19(12-15)29-4/h5-8,11-12H,9-10,13H2,1-4H3