4-[(2E)-2-(3,3,6-trimethyl-7-nitro-2,4-dihydroisoquinolin-1-ylidene)ethanoyl]benzenecarbonitrile

Systemtic Name: 4-[(2E)-2-(3,3,6-trimethyl-7-nitro-2,4-dihydroisoquinolin-1-ylidene)ethanoyl]benzenecarbonitrile Openeye Name: 4-[(2E)-2-(3,3,6-trimethyl-7-nitro-2,4-dihydroisoquinolin-1-ylidene)acetyl]benzonitrile CAS Name: 4-[(2E)-1-oxo-2-(3,3,6-trimethyl-7-nitro-2,4-dihydroisoquinolin-1-ylidene)ethyl]benzonitrile IUPAC Name: 4-[(2E)-2-(3,3,6-trimethyl-7-nitro-2,4-dihydroisoquinolin-1-ylidene)acetyl]benzonitrile Traditional Name: 4-[(2E)-2-(3,3,6-trimethyl-7-nitro-2,4-dihydroisoquinolin-1-ylidene)acetyl]benzonitrile Formula: C21H19N3O3 MolecularWeight: 361.39386

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)CC(NC2=CC(=O)C3=CC=C(C=C3)C#N)(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C\2C(=C1)CC(N/C2=C/C(=O)C3=CC=C(C=C3)C#N)(C)C)[N+](=O)[O-]

InChI

InChI=1S/C21H19N3O3/c1-13-8-16-11-21(2,3)23-18(17(16)9-19(13)24(26)27)10-20(25)15-6-4-14(12-22)5-7-15/h4-10,23H,11H2,1-3H3/b18-10+