7-butoxy-6-methoxy-1-methyl-4-nitro-2H-isoquinolin-3-one

Systemtic Name: 7-butoxy-6-methoxy-1-methyl-4-nitro-2H-isoquinolin-3-one Openeye Name: 7-butoxy-6-methoxy-1-methyl-4-nitro-2H-isoquinolin-3-one CAS Name: 7-butoxy-6-methoxy-1-methyl-4-nitro-2H-isoquinolin-3-one IUPAC Name: 7-butoxy-6-methoxy-1-methyl-4-nitro-2H-isoquinolin-3-one Traditional Name: 7-butoxy-6-methoxy-1-methyl-4-nitro-3-isoquinolone Formula: C15H18N2O5 MolecularWeight: 306.31382

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC2=C(NC(=O)C(=C2C=C1OC)[N+](=O)[O-])C

Isomeric SMILES

CCCCOC1=CC2=C(NC(=O)C(=C2C=C1OC)[N+](=O)[O-])C

InChI

InChI=1S/C15H18N2O5/c1-4-5-6-22-13-7-10-9(2)16-15(18)14(17(19)20)11(10)8-12(13)21-3/h7-8H,4-6H2,1-3H3,(H,16,18)