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

Systemtic Name: 1-methyl-6,8-dinitro-4-(3-oxidanylidenepentan-2-yl)quinolin-2-one Openeye Name: 1-methyl-4-(1-methyl-2-oxo-butyl)-6,8-dinitro-quinolin-2-one CAS Name: 1-methyl-6,8-dinitro-4-(3-oxopentan-2-yl)-2-quinolinone IUPAC Name: 1-methyl-6,8-dinitro-4-(3-oxopentan-2-yl)quinolin-2-one Traditional Name: 4-(2-keto-1-methyl-butyl)-1-methyl-6,8-dinitro-carbostyril Formula: C15H15N3O6 MolecularWeight: 333.2961

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H15N3O6/c1-4-13(19)8(2)10-7-14(20)16(3)15-11(10)5-9(17(21)22)6-12(15)18(23)24/h5-8H,4H2,1-3H3