1-methyl-6,8-dinitro-4-(2-oxidanylidenebutyl)quinolin-2-one

Systemtic Name: 1-methyl-6,8-dinitro-4-(2-oxidanylidenebutyl)quinolin-2-one Openeye Name: 1-methyl-6,8-dinitro-4-(2-oxobutyl)quinolin-2-one CAS Name: 1-methyl-6,8-dinitro-4-(2-oxobutyl)-2-quinolinone IUPAC Name: 1-methyl-6,8-dinitro-4-(2-oxobutyl)quinolin-2-one Traditional Name: 4-(2-ketobutyl)-1-methyl-6,8-dinitro-carbostyril Formula: C14H13N3O6 MolecularWeight: 319.26952

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)CC1=CC(=O)N(C2=C(C=C(C=C12)[N+](=O)[O-])[N+](=O)[O-])C

Isomeric SMILES

CCC(=O)CC1=CC(=O)N(C2=C(C=C(C=C12)[N+](=O)[O-])[N+](=O)[O-])C

InChI

InChI=1S/C14H13N3O6/c1-3-10(18)4-8-5-13(19)15(2)14-11(8)6-9(16(20)21)7-12(14)17(22)23/h5-7H,3-4H2,1-2H3