4-[[4,4-dimethyl-7-nitro-1,3-bis(oxidanylidene)isoquinolin-2-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4,4-dimethyl-7-nitro-1,3-bis(oxidanylidene)isoquinolin-2-yl]methyl]benzenecarbonitrile Openeye Name: 4-[(4,4-dimethyl-7-nitro-1,3-dioxo-2-isoquinolyl)methyl]benzonitrile CAS Name: 4-[(4,4-dimethyl-7-nitro-1,3-dioxo-2-isoquinolinyl)methyl]benzonitrile IUPAC Name: 4-[(4,4-dimethyl-7-nitro-1,3-dioxoisoquinolin-2-yl)methyl]benzonitrile Traditional Name: 4-[(1,3-diketo-4,4-dimethyl-7-nitro-2-isoquinolyl)methyl]benzonitrile Formula: C19H15N3O4 MolecularWeight: 349.3401

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)N(C1=O)CC3=CC=C(C=C3)C#N)C

Isomeric SMILES

CC1(C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)N(C1=O)CC3=CC=C(C=C3)C#N)C

InChI

InChI=1S/C19H15N3O4/c1-19(2)16-8-7-14(22(25)26)9-15(16)17(23)21(18(19)24)11-13-5-3-12(10-20)4-6-13/h3-9H,11H2,1-2H3