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

Systemtic Name: 4-[(2Z)-2-(3,3-dimethyl-7-nitro-2,4-dihydroisoquinolin-1-ylidene)ethanoyl]benzenecarbonitrile Openeye Name: 4-[(2Z)-2-(3,3-dimethyl-7-nitro-2,4-dihydroisoquinolin-1-ylidene)acetyl]benzonitrile CAS Name: 4-[(2Z)-2-(3,3-dimethyl-7-nitro-2,4-dihydroisoquinolin-1-ylidene)-1-oxoethyl]benzonitrile IUPAC Name: 4-[(2Z)-2-(3,3-dimethyl-7-nitro-2,4-dihydroisoquinolin-1-ylidene)acetyl]benzonitrile Traditional Name: 4-[(2Z)-2-(3,3-dimethyl-7-nitro-2,4-dihydroisoquinolin-1-ylidene)acetyl]benzonitrile Formula: C20H17N3O3 MolecularWeight: 347.36728

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17N3O3/c1-20(2)11-15-7-8-16(23(25)26)9-17(15)18(22-20)10-19(24)14-5-3-13(12-21)4-6-14/h3-10,22H,11H2,1-2H3/b18-10-