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

Systemtic Name: 4-chloranyl-3-[6,7-dinitro-1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]benzoic acid Openeye Name: 4-chloro-3-(6,7-dinitro-1,3-dioxo-benzo[de]isoquinolin-2-yl)benzoic acid CAS Name: 4-chloro-3-(6,7-dinitro-1,3-dioxo-2-benzo[de]isoquinolinyl)benzoic acid IUPAC Name: 4-chloro-3-(6,7-dinitro-1,3-dioxobenzo[de]isoquinolin-2-yl)benzoic acid Traditional Name: 4-chloro-3-(1,3-diketo-6,7-dinitro-benzo[de]isoquinolin-2-yl)benzoic acid Formula: C19H8ClN3O8 MolecularWeight: 441.73512

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)O)N2C(=O)C3=C4C(=CC=C(C4=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])C2=O)Cl

Isomeric SMILES

C1=CC(=C(C=C1C(=O)O)N2C(=O)C3=C4C(=CC=C(C4=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])C2=O)Cl

InChI

InChI=1S/C19H8ClN3O8/c20-11-4-1-8(19(26)27)7-14(11)21-17(24)9-2-5-12(22(28)29)16-13(23(30)31)6-3-10(15(9)16)18(21)25/h1-7H,(H,26,27)