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

Systemtic Name: 4-ethanoyl-3-methyl-7-nitro-2-propyl-isoquinolin-1-one Openeye Name: 4-acetyl-3-methyl-7-nitro-2-propyl-isoquinolin-1-one CAS Name: 4-acetyl-3-methyl-7-nitro-2-propyl-1-isoquinolinone IUPAC Name: 4-acetyl-3-methyl-7-nitro-2-propylisoquinolin-1-one Traditional Name: 4-acetyl-3-methyl-7-nitro-2-propyl-isocarbostyril Formula: C15H16N2O4 MolecularWeight: 288.29854

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=C(C2=C(C1=O)C=C(C=C2)[N+](=O)[O-])C(=O)C)C

Isomeric SMILES

CCCN1C(=C(C2=C(C1=O)C=C(C=C2)[N+](=O)[O-])C(=O)C)C

InChI

InChI=1S/C15H16N2O4/c1-4-7-16-9(2)14(10(3)18)12-6-5-11(17(20)21)8-13(12)15(16)19/h5-6,8H,4,7H2,1-3H3