ethyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]-6-nitro-6-phenyl-cyclohex-3-ene-1-carboxylate

Systemtic Name: ethyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]-6-nitro-6-phenyl-cyclohex-3-ene-1-carboxylate Openeye Name: ethyl 5-(tert-butoxycarbonylamino)-6-nitro-6-phenyl-cyclohex-3-ene-1-carboxylate CAS Name: 5-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-6-nitro-6-phenyl-1-cyclohex-3-enecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]-6-nitro-6-phenylcyclohex-3-ene-1-carboxylate Traditional Name: 5-(tert-butoxycarbonylamino)-6-nitro-6-phenyl-cyclohex-3-ene-1-carboxylic acid ethyl ester Formula: C20H26N2O6 MolecularWeight: 390.43024

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC=CC(C1(C2=CC=CC=C2)[N+](=O)[O-])NC(=O)OC(C)(C)C

Isomeric SMILES

CCOC(=O)C1CC=CC(C1(C2=CC=CC=C2)[N+](=O)[O-])NC(=O)OC(C)(C)C

InChI

InChI=1S/C20H26N2O6/c1-5-27-17(23)15-12-9-13-16(21-18(24)28-19(2,3)4)20(15,22(25)26)14-10-7-6-8-11-14/h6-11,13,15-16H,5,12H2,1-4H3,(H,21,24)