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

Systemtic Name: 3,4-dihydro-1H-isoquinolin-2-yl-(2,4-dinitrophenyl)methanone Openeye Name: 3,4-dihydro-1H-isoquinolin-2-yl-(2,4-dinitrophenyl)methanone CAS Name: 3,4-dihydro-1H-isoquinolin-2-yl-(2,4-dinitrophenyl)methanone IUPAC Name: 3,4-dihydro-1H-isoquinolin-2-yl-(2,4-dinitrophenyl)methanone Traditional Name: 3,4-dihydro-1H-isoquinolin-2-yl-(2,4-dinitrophenyl)methanone Formula: C16H13N3O5 MolecularWeight: 327.29152

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13N3O5/c20-16(17-8-7-11-3-1-2-4-12(11)10-17)14-6-5-13(18(21)22)9-15(14)19(23)24/h1-6,9H,7-8,10H2