3,4-dihydro-1H-isoquinolin-2-yl-(4-nitro-3-oxidanyl-phenyl)methanone

Systemtic Name: 3,4-dihydro-1H-isoquinolin-2-yl-(4-nitro-3-oxidanyl-phenyl)methanone Openeye Name: 3,4-dihydro-1H-isoquinolin-2-yl-(3-hydroxy-4-nitro-phenyl)methanone CAS Name: 3,4-dihydro-1H-isoquinolin-2-yl-(3-hydroxy-4-nitrophenyl)methanone IUPAC Name: 3,4-dihydro-1H-isoquinolin-2-yl-(3-hydroxy-4-nitrophenyl)methanone Traditional Name: 3,4-dihydro-1H-isoquinolin-2-yl-(3-hydroxy-4-nitro-phenyl)methanone Formula: C16H14N2O4 MolecularWeight: 298.29336

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14N2O4/c19-15-9-12(5-6-14(15)18(21)22)16(20)17-8-7-11-3-1-2-4-13(11)10-17/h1-6,9,19H,7-8,10H2