[2-(3-methylpiperidin-1-yl)-2-oxidanylidene-ethyl] 4-(3-methylpiperidin-1-yl)-3-nitro-benzoate

Systemtic Name: [2-(3-methylpiperidin-1-yl)-2-oxidanylidene-ethyl] 4-(3-methylpiperidin-1-yl)-3-nitro-benzoate Openeye Name: [2-(3-methyl-1-piperidyl)-2-oxo-ethyl] 4-(3-methyl-1-piperidyl)-3-nitro-benzoate CAS Name: 4-(3-methyl-1-piperidinyl)-3-nitrobenzoic acid [2-(3-methyl-1-piperidinyl)-2-oxoethyl] ester IUPAC Name: [2-(3-methylpiperidin-1-yl)-2-oxoethyl] 4-(3-methylpiperidin-1-yl)-3-nitrobenzoate Traditional Name: 4-(3-methylpiperidino)-3-nitro-benzoic acid [2-keto-2-(3-methylpiperidino)ethyl] ester Formula: C21H29N3O5 MolecularWeight: 403.47206

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C2=C(C=C(C=C2)C(=O)OCC(=O)N3CCCC(C3)C)[N+](=O)[O-]

Isomeric SMILES

CC1CCCN(C1)C2=C(C=C(C=C2)C(=O)OCC(=O)N3CCCC(C3)C)[N+](=O)[O-]

InChI

InChI=1S/C21H29N3O5/c1-15-5-3-9-22(12-15)18-8-7-17(11-19(18)24(27)28)21(26)29-14-20(25)23-10-4-6-16(2)13-23/h7-8,11,15-16H,3-6,9-10,12-14H2,1-2H3