(2Z)-1-cycloheptyl-2-(3,3-dimethyl-7-nitro-2,4-dihydroisoquinolin-1-ylidene)ethanone

Systemtic Name: (2Z)-1-cycloheptyl-2-(3,3-dimethyl-7-nitro-2,4-dihydroisoquinolin-1-ylidene)ethanone Openeye Name: (2Z)-1-cycloheptyl-2-(3,3-dimethyl-7-nitro-2,4-dihydroisoquinolin-1-ylidene)ethanone CAS Name: (2Z)-1-cycloheptyl-2-(3,3-dimethyl-7-nitro-2,4-dihydroisoquinolin-1-ylidene)ethanone IUPAC Name: (2Z)-1-cycloheptyl-2-(3,3-dimethyl-7-nitro-2,4-dihydroisoquinolin-1-ylidene)ethanone Traditional Name: (2Z)-1-cycloheptyl-2-(3,3-dimethyl-7-nitro-2,4-dihydroisoquinolin-1-ylidene)ethanone Formula: C20H26N2O3 MolecularWeight: 342.43204

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C=C(C=C2)[N+](=O)[O-])C(=CC(=O)C3CCCCCC3)N1)C

Isomeric SMILES

CC1(CC2=C(C=C(C=C2)[N+](=O)[O-])/C(=C/C(=O)C3CCCCCC3)/N1)C

InChI

InChI=1S/C20H26N2O3/c1-20(2)13-15-9-10-16(22(24)25)11-17(15)18(21-20)12-19(23)14-7-5-3-4-6-8-14/h9-12,14,21H,3-8,13H2,1-2H3/b18-12-