4-[2-(7-nitro-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]benzenecarbonitrile

Systemtic Name: 4-[2-(7-nitro-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]benzenecarbonitrile Openeye Name: 4-[2-(7-nitro-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]benzonitrile CAS Name: 4-[2-(7-nitro-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]benzonitrile IUPAC Name: 4-[2-(7-nitro-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]benzonitrile Traditional Name: 4-[2-keto-2-(7-nitro-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]benzonitrile Formula: C18H15N3O3 MolecularWeight: 321.33

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=C1C=CC(=C2)[N+](=O)[O-])C(=O)CC3=CC=C(C=C3)C#N

Isomeric SMILES

C1CN(CC2=C1C=CC(=C2)[N+](=O)[O-])C(=O)CC3=CC=C(C=C3)C#N

InChI

InChI=1S/C18H15N3O3/c19-11-14-3-1-13(2-4-14)9-18(22)20-8-7-15-5-6-17(21(23)24)10-16(15)12-20/h1-6,10H,7-9,12H2