[(2R)-1-[(3,4-dimethoxyphenyl)methylamino]-1-oxidanylidene-propan-2-yl] 4-methyl-3-nitro-benzoate

Systemtic Name: [(2R)-1-[(3,4-dimethoxyphenyl)methylamino]-1-oxidanylidene-propan-2-yl] 4-methyl-3-nitro-benzoate Openeye Name: [(1R)-2-[(3,4-dimethoxyphenyl)methylamino]-1-methyl-2-oxo-ethyl] 4-methyl-3-nitro-benzoate CAS Name: 4-methyl-3-nitrobenzoic acid [(2R)-1-[(3,4-dimethoxyphenyl)methylamino]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-[(3,4-dimethoxyphenyl)methylamino]-1-oxopropan-2-yl] 4-methyl-3-nitrobenzoate Traditional Name: 4-methyl-3-nitro-benzoic acid [(1R)-2-keto-1-methyl-2-(veratrylamino)ethyl] ester Formula: C20H22N2O7 MolecularWeight: 402.39788

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC(C)C(=O)NCC2=CC(=C(C=C2)OC)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O[C@H](C)C(=O)NCC2=CC(=C(C=C2)OC)OC)[N+](=O)[O-]

InChI

InChI=1S/C20H22N2O7/c1-12-5-7-15(10-16(12)22(25)26)20(24)29-13(2)19(23)21-11-14-6-8-17(27-3)18(9-14)28-4/h5-10,13H,11H2,1-4H3,(H,21,23)/t13-/m1/s1