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

Systemtic Name: [(2R)-1-[(3,4-dimethoxyphenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(dimethylamino)-3-nitro-benzoate Openeye Name: [(1R)-2-(3,4-dimethoxyanilino)-1-methyl-2-oxo-ethyl] 4-(dimethylamino)-3-nitro-benzoate CAS Name: 4-(dimethylamino)-3-nitrobenzoic acid [(2R)-1-(3,4-dimethoxyanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(3,4-dimethoxyanilino)-1-oxopropan-2-yl] 4-(dimethylamino)-3-nitrobenzoate Traditional Name: 4-(dimethylamino)-3-nitro-benzoic acid [(1R)-2-(3,4-dimethoxyanilino)-2-keto-1-methyl-ethyl] ester Formula: C20H23N3O7 MolecularWeight: 417.41252

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=C(C=C1)OC)OC)OC(=O)C2=CC(=C(C=C2)N(C)C)[N+](=O)[O-]

Isomeric SMILES

C[C@H](C(=O)NC1=CC(=C(C=C1)OC)OC)OC(=O)C2=CC(=C(C=C2)N(C)C)[N+](=O)[O-]

InChI

InChI=1S/C20H23N3O7/c1-12(19(24)21-14-7-9-17(28-4)18(11-14)29-5)30-20(25)13-6-8-15(22(2)3)16(10-13)23(26)27/h6-12H,1-5H3,(H,21,24)/t12-/m1/s1