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

Systemtic Name: N-[6,7-dinitro-1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]butanamide Openeye Name: N-(6,7-dinitro-1,3-dioxo-benzo[de]isoquinolin-2-yl)butanamide CAS Name: N-(6,7-dinitro-1,3-dioxo-2-benzo[de]isoquinolinyl)butanamide IUPAC Name: N-(6,7-dinitro-1,3-dioxobenzo[de]isoquinolin-2-yl)butanamide Traditional Name: N-(1,3-diketo-6,7-dinitro-benzo[de]isoquinolin-2-yl)butyramide Formula: C16H12N4O7 MolecularWeight: 372.28908

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H12N4O7/c1-2-3-12(21)17-18-15(22)8-4-6-10(19(24)25)14-11(20(26)27)7-5-9(13(8)14)16(18)23/h4-7H,2-3H2,1H3,(H,17,21)