4-[(4-nitrophenyl)methyl]-2H-isoquinolin-1-one

Systemtic Name: 4-[(4-nitrophenyl)methyl]-2H-isoquinolin-1-one Openeye Name: 4-[(4-nitrophenyl)methyl]-2H-isoquinolin-1-one CAS Name: 4-[(4-nitrophenyl)methyl]-2H-isoquinolin-1-one IUPAC Name: 4-[(4-nitrophenyl)methyl]-2H-isoquinolin-1-one Traditional Name: 4-(4-nitrobenzyl)isocarbostyril Formula: C16H12N2O3 MolecularWeight: 280.27808

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CNC2=O)CC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=CNC2=O)CC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H12N2O3/c19-16-15-4-2-1-3-14(15)12(10-17-16)9-11-5-7-13(8-6-11)18(20)21/h1-8,10H,9H2,(H,17,19)