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

Systemtic Name: [(2R)-1-(dimethylamino)-1-oxidanylidene-propan-2-yl] 4-(methylamino)-3-nitro-benzoate Openeye Name: [(1R)-2-(dimethylamino)-1-methyl-2-oxo-ethyl] 4-(methylamino)-3-nitro-benzoate CAS Name: 4-(methylamino)-3-nitrobenzoic acid [(2R)-1-(dimethylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(dimethylamino)-1-oxopropan-2-yl] 4-(methylamino)-3-nitrobenzoate Traditional Name: 4-(methylamino)-3-nitro-benzoic acid [(1R)-2-(dimethylamino)-2-keto-1-methyl-ethyl] ester Formula: C13H17N3O5 MolecularWeight: 295.29118

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17N3O5/c1-8(12(17)15(3)4)21-13(18)9-5-6-10(14-2)11(7-9)16(19)20/h5-8,14H,1-4H3/t8-/m1/s1