3,4-dihydro-1H-isoquinolin-2-yl-(6-nitrobenzotriazol-1-yl)methanone

Systemtic Name: 3,4-dihydro-1H-isoquinolin-2-yl-(6-nitrobenzotriazol-1-yl)methanone Openeye Name: 3,4-dihydro-1H-isoquinolin-2-yl-(6-nitrobenzotriazol-1-yl)methanone CAS Name: 3,4-dihydro-1H-isoquinolin-2-yl-(6-nitro-1-benzotriazolyl)methanone IUPAC Name: 3,4-dihydro-1H-isoquinolin-2-yl-(6-nitrobenzotriazol-1-yl)methanone Traditional Name: 3,4-dihydro-1H-isoquinolin-2-yl-(6-nitrobenzotriazol-1-yl)methanone Formula: C16H13N5O3 MolecularWeight: 323.30612

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)N3C4=C(C=CC(=C4)[N+](=O)[O-])N=N3

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)N3C4=C(C=CC(=C4)[N+](=O)[O-])N=N3

InChI

InChI=1S/C16H13N5O3/c22-16(19-8-7-11-3-1-2-4-12(11)10-19)20-15-9-13(21(23)24)5-6-14(15)17-18-20/h1-6,9H,7-8,10H2