O3-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxidanylidene-ethyl] O1-ethyl 5-nitrobenzene-1,3-dicarboxylate

Systemtic Name: O3-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxidanylidene-ethyl] O1-ethyl 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O3-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxo-ethyl] O1-ethyl 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] ester O1-ethyl ester IUPAC Name: 3-O-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] 1-O-ethyl 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O1-ethyl ester O3-[2-keto-2-(veratrylamino)ethyl] ester Formula: C21H22N2O9 MolecularWeight: 446.40738

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)C(=O)OCC(=O)NCC2=CC(=C(C=C2)OC)OC)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)C(=O)OCC(=O)NCC2=CC(=C(C=C2)OC)OC)[N+](=O)[O-]

InChI

InChI=1S/C21H22N2O9/c1-4-31-20(25)14-8-15(10-16(9-14)23(27)28)21(26)32-12-19(24)22-11-13-5-6-17(29-2)18(7-13)30-3/h5-10H,4,11-12H2,1-3H3,(H,22,24)