[(2S)-1-(dimethylamino)-1-oxidanylidene-propan-2-yl] 4-[(3S)-3-methylpiperidin-1-yl]-3-nitro-benzoate

Systemtic Name: [(2S)-1-(dimethylamino)-1-oxidanylidene-propan-2-yl] 4-[(3S)-3-methylpiperidin-1-yl]-3-nitro-benzoate Openeye Name: [(1S)-2-(dimethylamino)-1-methyl-2-oxo-ethyl] 4-[(3S)-3-methyl-1-piperidyl]-3-nitro-benzoate CAS Name: 4-[(3S)-3-methyl-1-piperidinyl]-3-nitrobenzoic acid [(2S)-1-(dimethylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(dimethylamino)-1-oxopropan-2-yl] 4-[(3S)-3-methylpiperidin-1-yl]-3-nitrobenzoate Traditional Name: 4-[(3S)-3-methylpiperidino]-3-nitro-benzoic acid [(1S)-2-(dimethylamino)-2-keto-1-methyl-ethyl] ester Formula: C18H25N3O5 MolecularWeight: 363.4082

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C2=C(C=C(C=C2)C(=O)OC(C)C(=O)N(C)C)[N+](=O)[O-]

Isomeric SMILES

C[C@H]1CCCN(C1)C2=C(C=C(C=C2)C(=O)O[C@@H](C)C(=O)N(C)C)[N+](=O)[O-]

InChI

InChI=1S/C18H25N3O5/c1-12-6-5-9-20(11-12)15-8-7-14(10-16(15)21(24)25)18(23)26-13(2)17(22)19(3)4/h7-8,10,12-13H,5-6,9,11H2,1-4H3/t12-,13-/m0/s1