benzotriazol-1-yl-(7-nitro-3,4-dihydro-1H-isoquinolin-2-yl)methanone

Systemtic Name: benzotriazol-1-yl-(7-nitro-3,4-dihydro-1H-isoquinolin-2-yl)methanone Openeye Name: benzotriazol-1-yl-(7-nitro-3,4-dihydro-1H-isoquinolin-2-yl)methanone CAS Name: 1-benzotriazolyl-(7-nitro-3,4-dihydro-1H-isoquinolin-2-yl)methanone IUPAC Name: benzotriazol-1-yl-(7-nitro-3,4-dihydro-1H-isoquinolin-2-yl)methanone Traditional Name: benzotriazol-1-yl-(7-nitro-3,4-dihydro-1H-isoquinolin-2-yl)methanone Formula: C16H13N5O3 MolecularWeight: 323.30612

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=C1C=CC(=C2)[N+](=O)[O-])C(=O)N3C4=CC=CC=C4N=N3

Isomeric SMILES

C1CN(CC2=C1C=CC(=C2)[N+](=O)[O-])C(=O)N3C4=CC=CC=C4N=N3

InChI

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