[2-oxidanylidene-2-(2-thiophen-2-ylcarbonylhydrazinyl)ethyl] 2-(4-methylpiperidin-1-yl)-5-nitro-benzoate

Systemtic Name: [2-oxidanylidene-2-(2-thiophen-2-ylcarbonylhydrazinyl)ethyl] 2-(4-methylpiperidin-1-yl)-5-nitro-benzoate Openeye Name: [2-oxo-2-[2-(thiophene-2-carbonyl)hydrazino]ethyl] 2-(4-methyl-1-piperidyl)-5-nitro-benzoate CAS Name: 2-(4-methyl-1-piperidinyl)-5-nitrobenzoic acid [2-oxo-2-[[oxo(thiophen-2-yl)methyl]hydrazo]ethyl] ester IUPAC Name: [2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 2-(4-methylpiperidin-1-yl)-5-nitrobenzoate Traditional Name: 2-(4-methylpiperidino)-5-nitro-benzoic acid [2-keto-2-[N'-(2-thenoyl)hydrazino]ethyl] ester Formula: C20H22N4O6S MolecularWeight: 446.47688

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OCC(=O)NNC(=O)C3=CC=CS3

Isomeric SMILES

CC1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OCC(=O)NNC(=O)C3=CC=CS3

InChI

InChI=1S/C20H22N4O6S/c1-13-6-8-23(9-7-13)16-5-4-14(24(28)29)11-15(16)20(27)30-12-18(25)21-22-19(26)17-3-2-10-31-17/h2-5,10-11,13H,6-9,12H2,1H3,(H,21,25)(H,22,26)