methyl 4-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxidanylidene-ethoxy]-3-nitro-benzoate

Systemtic Name: methyl 4-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxidanylidene-ethoxy]-3-nitro-benzoate Openeye Name: methyl 4-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxo-ethoxy]-3-nitro-benzoate CAS Name: 4-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethoxy]-3-nitrobenzoic acid methyl ester IUPAC Name: methyl 4-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethoxy]-3-nitrobenzoate Traditional Name: 4-[2-keto-2-(veratrylamino)ethoxy]-3-nitro-benzoic acid methyl ester Formula: C19H20N2O8 MolecularWeight: 404.3707

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=O)COC2=C(C=C(C=C2)C(=O)OC)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=O)COC2=C(C=C(C=C2)C(=O)OC)[N+](=O)[O-])OC

InChI

InChI=1S/C19H20N2O8/c1-26-16-6-4-12(8-17(16)27-2)10-20-18(22)11-29-15-7-5-13(19(23)28-3)9-14(15)21(24)25/h4-9H,10-11H2,1-3H3,(H,20,22)