(2E)-1-cyclohexyl-2-(3,3,6-trimethyl-7-nitro-2,4-dihydroisoquinolin-1-ylidene)ethanone

Systemtic Name: (2E)-1-cyclohexyl-2-(3,3,6-trimethyl-7-nitro-2,4-dihydroisoquinolin-1-ylidene)ethanone Openeye Name: (2E)-1-cyclohexyl-2-(3,3,6-trimethyl-7-nitro-2,4-dihydroisoquinolin-1-ylidene)ethanone CAS Name: (2E)-1-cyclohexyl-2-(3,3,6-trimethyl-7-nitro-2,4-dihydroisoquinolin-1-ylidene)ethanone IUPAC Name: (2E)-1-cyclohexyl-2-(3,3,6-trimethyl-7-nitro-2,4-dihydroisoquinolin-1-ylidene)ethanone Traditional Name: (2E)-1-cyclohexyl-2-(3,3,6-trimethyl-7-nitro-2,4-dihydroisoquinolin-1-ylidene)ethanone Formula: C20H26N2O3 MolecularWeight: 342.43204

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)CC(NC2=CC(=O)C3CCCCC3)(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C\2C(=C1)CC(N/C2=C/C(=O)C3CCCCC3)(C)C)[N+](=O)[O-]

InChI

InChI=1S/C20H26N2O3/c1-13-9-15-12-20(2,3)21-17(16(15)10-18(13)22(24)25)11-19(23)14-7-5-4-6-8-14/h9-11,14,21H,4-8,12H2,1-3H3/b17-11+