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

Systemtic Name: [2-oxidanylidene-2-[2-(phenylcarbonyl)hydrazinyl]ethyl] 4-(3-methylpiperidin-1-yl)-3-nitro-benzoate Openeye Name: [2-(2-benzoylhydrazino)-2-oxo-ethyl] 4-(3-methyl-1-piperidyl)-3-nitro-benzoate CAS Name: 4-(3-methyl-1-piperidinyl)-3-nitrobenzoic acid [2-(benzoylhydrazo)-2-oxoethyl] ester IUPAC Name: [2-(2-benzoylhydrazinyl)-2-oxoethyl] 4-(3-methylpiperidin-1-yl)-3-nitrobenzoate Traditional Name: 4-(3-methylpiperidino)-3-nitro-benzoic acid [2-(N'-benzoylhydrazino)-2-keto-ethyl] ester Formula: C22H24N4O6 MolecularWeight: 440.44916

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N4O6/c1-15-6-5-11-25(13-15)18-10-9-17(12-19(18)26(30)31)22(29)32-14-20(27)23-24-21(28)16-7-3-2-4-8-16/h2-4,7-10,12,15H,5-6,11,13-14H2,1H3,(H,23,27)(H,24,28)