[2-oxidanylidene-2-[2-(phenylcarbonyl)hydrazinyl]ethyl] 3-nitro-4-piperidin-1-yl-benzoate

Systemtic Name: [2-oxidanylidene-2-[2-(phenylcarbonyl)hydrazinyl]ethyl] 3-nitro-4-piperidin-1-yl-benzoate Openeye Name: [2-(2-benzoylhydrazino)-2-oxo-ethyl] 3-nitro-4-(1-piperidyl)benzoate CAS Name: 3-nitro-4-(1-piperidinyl)benzoic acid [2-(benzoylhydrazo)-2-oxoethyl] ester IUPAC Name: [2-(2-benzoylhydrazinyl)-2-oxoethyl] 3-nitro-4-piperidin-1-ylbenzoate Traditional Name: 3-nitro-4-piperidino-benzoic acid [2-(N'-benzoylhydrazino)-2-keto-ethyl] ester Formula: C21H22N4O6 MolecularWeight: 426.42258

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=C(C=C2)C(=O)OCC(=O)NNC(=O)C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C2=C(C=C(C=C2)C(=O)OCC(=O)NNC(=O)C3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H22N4O6/c26-19(22-23-20(27)15-7-3-1-4-8-15)14-31-21(28)16-9-10-17(18(13-16)25(29)30)24-11-5-2-6-12-24/h1,3-4,7-10,13H,2,5-6,11-12,14H2,(H,22,26)(H,23,27)