methyl 4-[[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)-4-nitro-phenyl]amino]cyclohexane-1-carboxylate

Systemtic Name: methyl 4-[[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)-4-nitro-phenyl]amino]cyclohexane-1-carboxylate Openeye Name: methyl 4-[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)-4-nitro-anilino]cyclohexanecarboxylate CAS Name: 4-[2-[(1,3-benzodioxol-5-ylmethylamino)-oxomethyl]-4-nitroanilino]-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl 4-[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)-4-nitroanilino]cyclohexane-1-carboxylate Traditional Name: 4-[4-nitro-2-(piperonylcarbamoyl)anilino]cyclohexanecarboxylic acid methyl ester Formula: C23H25N3O7 MolecularWeight: 455.4605

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCC(CC1)NC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

COC(=O)C1CCC(CC1)NC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NCC3=CC4=C(C=C3)OCO4

InChI

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