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

Systemtic Name: [2-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]-2-oxidanylidene-ethyl] 4-azanyl-3-nitro-benzoate Openeye Name: [2-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]-2-oxo-ethyl] 4-amino-3-nitro-benzoate CAS Name: 4-amino-3-nitrobenzoic acid [2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-2-oxoethyl] 4-amino-3-nitrobenzoate Traditional Name: 4-amino-3-nitro-benzoic acid [2-[homoveratryl(methyl)amino]-2-keto-ethyl] ester Formula: C20H23N3O7 MolecularWeight: 417.41252

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CCC1=CC(=C(C=C1)OC)OC)C(=O)COC(=O)C2=CC(=C(C=C2)N)[N+](=O)[O-]

Isomeric SMILES

CN(CCC1=CC(=C(C=C1)OC)OC)C(=O)COC(=O)C2=CC(=C(C=C2)N)[N+](=O)[O-]

InChI

InChI=1S/C20H23N3O7/c1-22(9-8-13-4-7-17(28-2)18(10-13)29-3)19(24)12-30-20(25)14-5-6-15(21)16(11-14)23(26)27/h4-7,10-11H,8-9,12,21H2,1-3H3