[4-[2-(1,3-benzodioxol-5-ylmethyl)-2-(3-nitrophenyl)carbonyl-hydrazinyl]cyclohexyl] benzoate

Systemtic Name: [4-[2-(1,3-benzodioxol-5-ylmethyl)-2-(3-nitrophenyl)carbonyl-hydrazinyl]cyclohexyl] benzoate Openeye Name: [4-[2-(1,3-benzodioxol-5-ylmethyl)-2-(3-nitrobenzoyl)hydrazino]cyclohexyl] benzoate CAS Name: benzoic acid [4-[2-(1,3-benzodioxol-5-ylmethyl)-2-[(3-nitrophenyl)-oxomethyl]hydrazinyl]cyclohexyl] ester IUPAC Name: [4-[2-(1,3-benzodioxol-5-ylmethyl)-2-(3-nitrobenzoyl)hydrazinyl]cyclohexyl] benzoate Traditional Name: benzoic acid [4-[N'-(3-nitrobenzoyl)-N'-piperonyl-hydrazino]cyclohexyl] ester Formula: C28H27N3O7 MolecularWeight: 517.52988

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1NN(CC2=CC3=C(C=C2)OCO3)C(=O)C4=CC(=CC=C4)[N+](=O)[O-])OC(=O)C5=CC=CC=C5

Isomeric SMILES

C1CC(CCC1NN(CC2=CC3=C(C=C2)OCO3)C(=O)C4=CC(=CC=C4)[N+](=O)[O-])OC(=O)C5=CC=CC=C5

InChI

InChI=1S/C28H27N3O7/c32-27(21-7-4-8-23(16-21)31(34)35)30(17-19-9-14-25-26(15-19)37-18-36-25)29-22-10-12-24(13-11-22)38-28(33)20-5-2-1-3-6-20/h1-9,14-16,22,24,29H,10-13,17-18H2