N-[6,7-dinitro-1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]-3-methyl-butanamide

Systemtic Name: N-[6,7-dinitro-1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]-3-methyl-butanamide Openeye Name: N-(6,7-dinitro-1,3-dioxo-benzo[de]isoquinolin-2-yl)-3-methyl-butanamide CAS Name: N-(6,7-dinitro-1,3-dioxo-2-benzo[de]isoquinolinyl)-3-methylbutanamide IUPAC Name: N-(6,7-dinitro-1,3-dioxobenzo[de]isoquinolin-2-yl)-3-methylbutanamide Traditional Name: N-(1,3-diketo-6,7-dinitro-benzo[de]isoquinolin-2-yl)-3-methyl-butyramide Formula: C17H14N4O7 MolecularWeight: 386.31566

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NN1C(=O)C2=C3C(=CC=C(C3=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])C1=O

Isomeric SMILES

CC(C)CC(=O)NN1C(=O)C2=C3C(=CC=C(C3=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])C1=O

InChI

InChI=1S/C17H14N4O7/c1-8(2)7-13(22)18-19-16(23)9-3-5-11(20(25)26)15-12(21(27)28)6-4-10(14(9)15)17(19)24/h3-6,8H,7H2,1-2H3,(H,18,22)