[1-(methylamino)-1-oxidanylidene-propan-2-yl] 4-(3,5-dimethylpiperidin-1-yl)-3-nitro-benzoate

Systemtic Name: [1-(methylamino)-1-oxidanylidene-propan-2-yl] 4-(3,5-dimethylpiperidin-1-yl)-3-nitro-benzoate Openeye Name: [1-methyl-2-(methylamino)-2-oxo-ethyl] 4-(3,5-dimethyl-1-piperidyl)-3-nitro-benzoate CAS Name: 4-(3,5-dimethyl-1-piperidinyl)-3-nitrobenzoic acid [1-(methylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(methylamino)-1-oxopropan-2-yl] 4-(3,5-dimethylpiperidin-1-yl)-3-nitrobenzoate Traditional Name: 4-(3,5-dimethylpiperidino)-3-nitro-benzoic acid [2-keto-1-methyl-2-(methylamino)ethyl] ester Formula: C18H25N3O5 MolecularWeight: 363.4082

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C2=C(C=C(C=C2)C(=O)OC(C)C(=O)NC)[N+](=O)[O-])C

Isomeric SMILES

CC1CC(CN(C1)C2=C(C=C(C=C2)C(=O)OC(C)C(=O)NC)[N+](=O)[O-])C

InChI

InChI=1S/C18H25N3O5/c1-11-7-12(2)10-20(9-11)15-6-5-14(8-16(15)21(24)25)18(23)26-13(3)17(22)19-4/h5-6,8,11-13H,7,9-10H2,1-4H3,(H,19,22)