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

Systemtic Name: (2E)-1-cycloheptyl-2-(3,3,6-trimethyl-7-nitro-2,4-dihydroisoquinolin-1-ylidene)ethanone Openeye Name: (2E)-1-cycloheptyl-2-(3,3,6-trimethyl-7-nitro-2,4-dihydroisoquinolin-1-ylidene)ethanone CAS Name: (2E)-1-cycloheptyl-2-(3,3,6-trimethyl-7-nitro-2,4-dihydroisoquinolin-1-ylidene)ethanone IUPAC Name: (2E)-1-cycloheptyl-2-(3,3,6-trimethyl-7-nitro-2,4-dihydroisoquinolin-1-ylidene)ethanone Traditional Name: (2E)-1-cycloheptyl-2-(3,3,6-trimethyl-7-nitro-2,4-dihydroisoquinolin-1-ylidene)ethanone Formula: C21H28N2O3 MolecularWeight: 356.45862

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)CC(NC2=CC(=O)C3CCCCCC3)(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C\2C(=C1)CC(N/C2=C/C(=O)C3CCCCCC3)(C)C)[N+](=O)[O-]

InChI

InChI=1S/C21H28N2O3/c1-14-10-16-13-21(2,3)22-18(17(16)11-19(14)23(25)26)12-20(24)15-8-6-4-5-7-9-15/h10-12,15,22H,4-9,13H2,1-3H3/b18-12+