N'-[4-(4-methylpiperidin-1-yl)-3-nitro-phenyl]carbonyl-1,3-benzodioxole-5-carbohydrazide

Systemtic Name: N'-[4-(4-methylpiperidin-1-yl)-3-nitro-phenyl]carbonyl-1,3-benzodioxole-5-carbohydrazide Openeye Name: N'-[4-(4-methyl-1-piperidyl)-3-nitro-benzoyl]-1,3-benzodioxole-5-carbohydrazide CAS Name: N'-[[4-(4-methyl-1-piperidinyl)-3-nitrophenyl]-oxomethyl]-1,3-benzodioxole-5-carbohydrazide IUPAC Name: N'-[4-(4-methylpiperidin-1-yl)-3-nitrobenzoyl]-1,3-benzodioxole-5-carbohydrazide Traditional Name: N'-[4-(4-methylpiperidino)-3-nitro-benzoyl]-1,3-benzodioxole-5-carbohydrazide Formula: C21H22N4O6 MolecularWeight: 426.42258

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=C(C=C(C=C2)C(=O)NNC(=O)C3=CC4=C(C=C3)OCO4)[N+](=O)[O-]

Isomeric SMILES

CC1CCN(CC1)C2=C(C=C(C=C2)C(=O)NNC(=O)C3=CC4=C(C=C3)OCO4)[N+](=O)[O-]

InChI

InChI=1S/C21H22N4O6/c1-13-6-8-24(9-7-13)16-4-2-14(10-17(16)25(28)29)20(26)22-23-21(27)15-3-5-18-19(11-15)31-12-30-18/h2-5,10-11,13H,6-9,12H2,1H3,(H,22,26)(H,23,27)