4-[(2Z)-2-(6-chloranyl-3,3-dimethyl-7-nitro-2,4-dihydroisoquinolin-1-ylidene)ethanoyl]benzenecarbonitrile

Systemtic Name: 4-[(2Z)-2-(6-chloranyl-3,3-dimethyl-7-nitro-2,4-dihydroisoquinolin-1-ylidene)ethanoyl]benzenecarbonitrile Openeye Name: 4-[(2Z)-2-(6-chloro-3,3-dimethyl-7-nitro-2,4-dihydroisoquinolin-1-ylidene)acetyl]benzonitrile CAS Name: 4-[(2Z)-2-(6-chloro-3,3-dimethyl-7-nitro-2,4-dihydroisoquinolin-1-ylidene)-1-oxoethyl]benzonitrile IUPAC Name: 4-[(2Z)-2-(6-chloro-3,3-dimethyl-7-nitro-2,4-dihydroisoquinolin-1-ylidene)acetyl]benzonitrile Traditional Name: 4-[(2Z)-2-(6-chloro-3,3-dimethyl-7-nitro-2,4-dihydroisoquinolin-1-ylidene)acetyl]benzonitrile Formula: C20H16ClN3O3 MolecularWeight: 381.81234

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=CC(=C(C=C2C(=CC(=O)C3=CC=C(C=C3)C#N)N1)[N+](=O)[O-])Cl)C

Isomeric SMILES

CC1(CC2=CC(=C(C=C2/C(=C/C(=O)C3=CC=C(C=C3)C#N)/N1)[N+](=O)[O-])Cl)C

InChI

InChI=1S/C20H16ClN3O3/c1-20(2)10-14-7-16(21)18(24(26)27)8-15(14)17(23-20)9-19(25)13-5-3-12(11-22)4-6-13/h3-9,23H,10H2,1-2H3/b17-9-