[(2R)-1-[(4-methoxyphenyl)methylamino]-1-oxidanylidene-propan-2-yl] 4-(dimethylamino)-3-nitro-benzoate

Systemtic Name: [(2R)-1-[(4-methoxyphenyl)methylamino]-1-oxidanylidene-propan-2-yl] 4-(dimethylamino)-3-nitro-benzoate Openeye Name: [(1R)-2-[(4-methoxyphenyl)methylamino]-1-methyl-2-oxo-ethyl] 4-(dimethylamino)-3-nitro-benzoate CAS Name: 4-(dimethylamino)-3-nitrobenzoic acid [(2R)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl] 4-(dimethylamino)-3-nitrobenzoate Traditional Name: 4-(dimethylamino)-3-nitro-benzoic acid [(1R)-2-keto-1-methyl-2-(p-anisylamino)ethyl] ester Formula: C20H23N3O6 MolecularWeight: 401.41312

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=C(C=C1)OC)OC(=O)C2=CC(=C(C=C2)N(C)C)[N+](=O)[O-]

Isomeric SMILES

C[C@H](C(=O)NCC1=CC=C(C=C1)OC)OC(=O)C2=CC(=C(C=C2)N(C)C)[N+](=O)[O-]

InChI

InChI=1S/C20H23N3O6/c1-13(19(24)21-12-14-5-8-16(28-4)9-6-14)29-20(25)15-7-10-17(22(2)3)18(11-15)23(26)27/h5-11,13H,12H2,1-4H3,(H,21,24)/t13-/m1/s1