1-(4-methyl-5-nitro-1H-isoquinolin-2-yl)ethanone

Systemtic Name: 1-(4-methyl-5-nitro-1H-isoquinolin-2-yl)ethanone Openeye Name: 1-(4-methyl-5-nitro-1H-isoquinolin-2-yl)ethanone CAS Name: 1-(4-methyl-5-nitro-1H-isoquinolin-2-yl)ethanone IUPAC Name: 1-(4-methyl-5-nitro-1H-isoquinolin-2-yl)ethanone Traditional Name: 1-(4-methyl-5-nitro-1H-isoquinolin-2-yl)ethanone Formula: C12H12N2O3 MolecularWeight: 232.23528

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(CC2=C1C(=CC=C2)[N+](=O)[O-])C(=O)C

Isomeric SMILES

CC1=CN(CC2=C1C(=CC=C2)[N+](=O)[O-])C(=O)C

InChI

InChI=1S/C12H12N2O3/c1-8-6-13(9(2)15)7-10-4-3-5-11(12(8)10)14(16)17/h3-6H,7H2,1-2H3