(2Z)-2-(6-chloranyl-3,3-dimethyl-7-nitro-2,4-dihydroisoquinolin-1-ylidene)-1-cycloheptyl-ethanone

Systemtic Name: (2Z)-2-(6-chloranyl-3,3-dimethyl-7-nitro-2,4-dihydroisoquinolin-1-ylidene)-1-cycloheptyl-ethanone Openeye Name: (2Z)-2-(6-chloro-3,3-dimethyl-7-nitro-2,4-dihydroisoquinolin-1-ylidene)-1-cycloheptyl-ethanone CAS Name: (2Z)-2-(6-chloro-3,3-dimethyl-7-nitro-2,4-dihydroisoquinolin-1-ylidene)-1-cycloheptylethanone IUPAC Name: (2Z)-2-(6-chloro-3,3-dimethyl-7-nitro-2,4-dihydroisoquinolin-1-ylidene)-1-cycloheptylethanone Traditional Name: (2Z)-2-(6-chloro-3,3-dimethyl-7-nitro-2,4-dihydroisoquinolin-1-ylidene)-1-cycloheptyl-ethanone Formula: C20H25ClN2O3 MolecularWeight: 376.8771

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=CC(=C(C=C2C(=CC(=O)C3CCCCCC3)N1)[N+](=O)[O-])Cl)C

Isomeric SMILES

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

InChI

InChI=1S/C20H25ClN2O3/c1-20(2)12-14-9-16(21)18(23(25)26)10-15(14)17(22-20)11-19(24)13-7-5-3-4-6-8-13/h9-11,13,22H,3-8,12H2,1-2H3/b17-11-