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

Systemtic Name: 4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-nitro-benzenecarbonitrile Openeye Name: 4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-nitro-benzonitrile CAS Name: 4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-nitrobenzonitrile IUPAC Name: 4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-nitrobenzonitrile Traditional Name: 4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-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)C#N)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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