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

Systemtic Name: 3,4-dihydro-1H-isoquinolin-2-yl-(4-nitro-1H-pyrazol-5-yl)methanone Openeye Name: 3,4-dihydro-1H-isoquinolin-2-yl-(4-nitro-1H-pyrazol-5-yl)methanone CAS Name: 3,4-dihydro-1H-isoquinolin-2-yl-(4-nitro-1H-pyrazol-5-yl)methanone IUPAC Name: 3,4-dihydro-1H-isoquinolin-2-yl-(4-nitro-1H-pyrazol-5-yl)methanone Traditional Name: 3,4-dihydro-1H-isoquinolin-2-yl-(4-nitro-1H-pyrazol-5-yl)methanone Formula: C13H12N4O3 MolecularWeight: 272.25938

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)C3=C(C=NN3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)C3=C(C=NN3)[N+](=O)[O-]

InChI

InChI=1S/C13H12N4O3/c18-13(12-11(17(19)20)7-14-15-12)16-6-5-9-3-1-2-4-10(9)8-16/h1-4,7H,5-6,8H2,(H,14,15)