4-[(4-methyl-7-nitro-1-oxidanylidene-isoquinolin-2-yl)methyl]benzenecarbonitrile

Systemtic Name: 4-[(4-methyl-7-nitro-1-oxidanylidene-isoquinolin-2-yl)methyl]benzenecarbonitrile Openeye Name: 4-[(4-methyl-7-nitro-1-oxo-2-isoquinolyl)methyl]benzonitrile CAS Name: 4-[(4-methyl-7-nitro-1-oxo-2-isoquinolinyl)methyl]benzonitrile IUPAC Name: 4-[(4-methyl-7-nitro-1-oxoisoquinolin-2-yl)methyl]benzonitrile Traditional Name: 4-[(1-keto-4-methyl-7-nitro-2-isoquinolyl)methyl]benzonitrile Formula: C18H13N3O3 MolecularWeight: 319.31412

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(C(=O)C2=C1C=CC(=C2)[N+](=O)[O-])CC3=CC=C(C=C3)C#N

Isomeric SMILES

CC1=CN(C(=O)C2=C1C=CC(=C2)[N+](=O)[O-])CC3=CC=C(C=C3)C#N

InChI

InChI=1S/C18H13N3O3/c1-12-10-20(11-14-4-2-13(9-19)3-5-14)18(22)17-8-15(21(23)24)6-7-16(12)17/h2-8,10H,11H2,1H3