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

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

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

Isomeric SMILES

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

InChI

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