4-(1-ethanoyl-7-nitro-3,4-dihydro-1H-isoquinolin-2-yl)benzenecarbonitrile

Systemtic Name: 4-(1-ethanoyl-7-nitro-3,4-dihydro-1H-isoquinolin-2-yl)benzenecarbonitrile Openeye Name: 4-(1-acetyl-7-nitro-3,4-dihydro-1H-isoquinolin-2-yl)benzonitrile CAS Name: 4-(1-acetyl-7-nitro-3,4-dihydro-1H-isoquinolin-2-yl)benzonitrile IUPAC Name: 4-(1-acetyl-7-nitro-3,4-dihydro-1H-isoquinolin-2-yl)benzonitrile Traditional Name: 4-(1-acetyl-7-nitro-3,4-dihydro-1H-isoquinolin-2-yl)benzonitrile Formula: C18H15N3O3 MolecularWeight: 321.33

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1C2=C(CCN1C3=CC=C(C=C3)C#N)C=CC(=C2)[N+](=O)[O-]

Isomeric SMILES

CC(=O)C1C2=C(CCN1C3=CC=C(C=C3)C#N)C=CC(=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H15N3O3/c1-12(22)18-17-10-16(21(23)24)7-4-14(17)8-9-20(18)15-5-2-13(11-19)3-6-15/h2-7,10,18H,8-9H2,1H3