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

Systemtic Name: [2-oxidanylidene-2-(2-oxidanylideneimidazolidin-1-yl)ethyl] 4-(3-methylpiperidin-1-yl)-3-nitro-benzoate Openeye Name: [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 4-(3-methyl-1-piperidyl)-3-nitro-benzoate CAS Name: 4-(3-methyl-1-piperidinyl)-3-nitrobenzoic acid [2-oxo-2-(2-oxo-1-imidazolidinyl)ethyl] ester IUPAC Name: [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 4-(3-methylpiperidin-1-yl)-3-nitrobenzoate Traditional Name: 4-(3-methylpiperidino)-3-nitro-benzoic acid [2-keto-2-(2-ketoimidazolidin-1-yl)ethyl] ester Formula: C18H22N4O6 MolecularWeight: 390.39048

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C2=C(C=C(C=C2)C(=O)OCC(=O)N3CCNC3=O)[N+](=O)[O-]

Isomeric SMILES

CC1CCCN(C1)C2=C(C=C(C=C2)C(=O)OCC(=O)N3CCNC3=O)[N+](=O)[O-]

InChI

InChI=1S/C18H22N4O6/c1-12-3-2-7-20(10-12)14-5-4-13(9-15(14)22(26)27)17(24)28-11-16(23)21-8-6-19-18(21)25/h4-5,9,12H,2-3,6-8,10-11H2,1H3,(H,19,25)