(1-oxidanylidene-1-pyrrolidin-1-yl-propan-2-yl) 4-(3,5-dimethylpiperidin-1-yl)-3-nitro-benzoate

Systemtic Name: (1-oxidanylidene-1-pyrrolidin-1-yl-propan-2-yl) 4-(3,5-dimethylpiperidin-1-yl)-3-nitro-benzoate Openeye Name: (1-methyl-2-oxo-2-pyrrolidin-1-yl-ethyl) 4-(3,5-dimethyl-1-piperidyl)-3-nitro-benzoate CAS Name: 4-(3,5-dimethyl-1-piperidinyl)-3-nitrobenzoic acid [1-oxo-1-(1-pyrrolidinyl)propan-2-yl] ester IUPAC Name: (1-oxo-1-pyrrolidin-1-ylpropan-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-pyrrolidino-ethyl) ester Formula: C21H29N3O5 MolecularWeight: 403.47206

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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)N3CCCC3)[N+](=O)[O-])C

Isomeric SMILES

CC1CC(CN(C1)C2=C(C=C(C=C2)C(=O)OC(C)C(=O)N3CCCC3)[N+](=O)[O-])C

InChI

InChI=1S/C21H29N3O5/c1-14-10-15(2)13-23(12-14)18-7-6-17(11-19(18)24(27)28)21(26)29-16(3)20(25)22-8-4-5-9-22/h6-7,11,14-16H,4-5,8-10,12-13H2,1-3H3