1-methyl-6,8-dinitro-4-(3-oxidanylidenebutan-2-yl)quinolin-2-one

Systemtic Name: 1-methyl-6,8-dinitro-4-(3-oxidanylidenebutan-2-yl)quinolin-2-one Openeye Name: 1-methyl-4-(1-methyl-2-oxo-propyl)-6,8-dinitro-quinolin-2-one CAS Name: 1-methyl-6,8-dinitro-4-(3-oxobutan-2-yl)-2-quinolinone IUPAC Name: 1-methyl-6,8-dinitro-4-(3-oxobutan-2-yl)quinolin-2-one Traditional Name: 4-(2-keto-1-methyl-propyl)-1-methyl-6,8-dinitro-carbostyril Formula: C14H13N3O6 MolecularWeight: 319.26952

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=O)N(C2=C(C=C(C=C12)[N+](=O)[O-])[N+](=O)[O-])C)C(=O)C

Isomeric SMILES

CC(C1=CC(=O)N(C2=C(C=C(C=C12)[N+](=O)[O-])[N+](=O)[O-])C)C(=O)C

InChI

InChI=1S/C14H13N3O6/c1-7(8(2)18)10-6-13(19)15(3)14-11(10)4-9(16(20)21)5-12(14)17(22)23/h4-7H,1-3H3