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4-[6,7-dinitro-1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]butanoic acid

4-[6,7-dinitro-1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]butanoic acid

Systemtic Name:4-[6,7-dinitro-1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]butanoic acid
Openeye Name:4-(6,7-dinitro-1,3-dioxo-benzo[de]isoquinolin-2-yl)butanoic acid
CAS Name:4-(6,7-dinitro-1,3-dioxo-2-benzo[de]isoquinolinyl)butanoic acid
IUPAC Name:4-(6,7-dinitro-1,3-dioxobenzo[de]isoquinolin-2-yl)butanoic acid
Traditional Name:4-(1,3-diketo-6,7-dinitro-benzo[de]isoquinolin-2-yl)butyric acid
Formula: C16H11N3O8
MolecularWeight: 373.27384
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C2C(=CC=C3C2=C1C(=O)N(C3=O)CCCC(=O)O)[N+](=O)[O-])[N+](=O)[O-]


Isomeric SMILES

C1=CC(=C2C(=CC=C3C2=C1C(=O)N(C3=O)CCCC(=O)O)[N+](=O)[O-])[N+](=O)[O-]


InChI

InChI=1S/C16H11N3O8/c20-12(21)2-1-7-17-15(22)8-3-5-10(18(24)25)14-11(19(26)27)6-4-9(13(8)14)16(17)23/h3-6H,1-2,7H2,(H,20,21)


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