4-ethanoyl-3-methyl-7-nitro-2-phenyl-isoquinolin-1-one

Systemtic Name: 4-ethanoyl-3-methyl-7-nitro-2-phenyl-isoquinolin-1-one Openeye Name: 4-acetyl-3-methyl-7-nitro-2-phenyl-isoquinolin-1-one CAS Name: 4-acetyl-3-methyl-7-nitro-2-phenyl-1-isoquinolinone IUPAC Name: 4-acetyl-3-methyl-7-nitro-2-phenylisoquinolin-1-one Traditional Name: 4-acetyl-3-methyl-7-nitro-2-phenyl-isocarbostyril Formula: C18H14N2O4 MolecularWeight: 322.31476

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)N1C3=CC=CC=C3)C(=O)C

Isomeric SMILES

CC1=C(C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)N1C3=CC=CC=C3)C(=O)C

InChI

InChI=1S/C18H14N2O4/c1-11-17(12(2)21)15-9-8-14(20(23)24)10-16(15)18(22)19(11)13-6-4-3-5-7-13/h3-10H,1-2H3