[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxidanylidene-ethyl] 4,5-dimethoxy-2-nitro-benzoate

Systemtic Name: [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxidanylidene-ethyl] 4,5-dimethoxy-2-nitro-benzoate Openeye Name: [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxo-ethyl] 4,5-dimethoxy-2-nitro-benzoate CAS Name: 4,5-dimethoxy-2-nitrobenzoic acid [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] 4,5-dimethoxy-2-nitrobenzoate Traditional Name: 4,5-dimethoxy-2-nitro-benzoic acid [2-keto-2-(veratrylamino)ethyl] ester Formula: C20H22N2O9 MolecularWeight: 434.39668

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=O)COC(=O)C2=CC(=C(C=C2[N+](=O)[O-])OC)OC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=O)COC(=O)C2=CC(=C(C=C2[N+](=O)[O-])OC)OC)OC

InChI

InChI=1S/C20H22N2O9/c1-27-15-6-5-12(7-16(15)28-2)10-21-19(23)11-31-20(24)13-8-17(29-3)18(30-4)9-14(13)22(25)26/h5-9H,10-11H2,1-4H3,(H,21,23)