methyl 4-[2-(1,3-benzodioxol-5-ylmethyl)-2-(3-nitrophenyl)carbonyl-hydrazinyl]cyclohexane-1-carboxylate

Systemtic Name: methyl 4-[2-(1,3-benzodioxol-5-ylmethyl)-2-(3-nitrophenyl)carbonyl-hydrazinyl]cyclohexane-1-carboxylate Openeye Name: methyl 4-[2-(1,3-benzodioxol-5-ylmethyl)-2-(3-nitrobenzoyl)hydrazino]cyclohexanecarboxylate CAS Name: 4-[2-(1,3-benzodioxol-5-ylmethyl)-2-[(3-nitrophenyl)-oxomethyl]hydrazinyl]-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl 4-[2-(1,3-benzodioxol-5-ylmethyl)-2-(3-nitrobenzoyl)hydrazinyl]cyclohexane-1-carboxylate Traditional Name: 4-[N'-(3-nitrobenzoyl)-N'-piperonyl-hydrazino]cyclohexanecarboxylic acid methyl ester Formula: C23H25N3O7 MolecularWeight: 455.4605

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCC(CC1)NN(CC2=CC3=C(C=C2)OCO3)C(=O)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1CCC(CC1)NN(CC2=CC3=C(C=C2)OCO3)C(=O)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H25N3O7/c1-31-23(28)16-6-8-18(9-7-16)24-25(13-15-5-10-20-21(11-15)33-14-32-20)22(27)17-3-2-4-19(12-17)26(29)30/h2-5,10-12,16,18,24H,6-9,13-14H2,1H3