5-nitro-2-(phenylmethyl)isoquinolin-1-one

Systemtic Name: 5-nitro-2-(phenylmethyl)isoquinolin-1-one Openeye Name: 2-benzyl-5-nitro-isoquinolin-1-one CAS Name: 5-nitro-2-(phenylmethyl)-1-isoquinolinone IUPAC Name: 2-benzyl-5-nitroisoquinolin-1-one Traditional Name: 2-benzyl-5-nitro-isocarbostyril Formula: C16H12N2O3 MolecularWeight: 280.27808

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=CC3=C(C2=O)C=CC=C3[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CN2C=CC3=C(C2=O)C=CC=C3[N+](=O)[O-]

InChI

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