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

Systemtic Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-nitro-1,2,4-triazol-1-yl)ethanone Openeye Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-nitro-1,2,4-triazol-1-yl)ethanone CAS Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-nitro-1,2,4-triazol-1-yl)ethanone IUPAC Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-nitro-1,2,4-triazol-1-yl)ethanone Traditional Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-nitro-1,2,4-triazol-1-yl)ethanone Formula: C13H13N5O3 MolecularWeight: 287.27402

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)CN3C=NC(=N3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)CN3C=NC(=N3)[N+](=O)[O-]

InChI

InChI=1S/C13H13N5O3/c19-12(8-17-9-14-13(15-17)18(20)21)16-6-5-10-3-1-2-4-11(10)7-16/h1-4,9H,5-8H2