2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-nitro-benzenecarbonitrile

Systemtic Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-nitro-benzenecarbonitrile Openeye Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-nitro-benzonitrile CAS Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-nitrobenzonitrile IUPAC Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-nitrobenzonitrile Traditional Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-nitro-benzonitrile Formula: C16H13N3O2 MolecularWeight: 279.29332

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C3=C(C=C(C=C3)[N+](=O)[O-])C#N

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C3=C(C=C(C=C3)[N+](=O)[O-])C#N

InChI

InChI=1S/C16H13N3O2/c17-10-14-9-15(19(20)21)5-6-16(14)18-8-7-12-3-1-2-4-13(12)11-18/h1-6,9H,7-8,11H2