3-[5-bromanyl-8-nitro-1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]-4-chloranyl-benzoic acid

Systemtic Name: 3-[5-bromanyl-8-nitro-1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]-4-chloranyl-benzoic acid Openeye Name: 3-(5-bromo-8-nitro-1,3-dioxo-benzo[de]isoquinolin-2-yl)-4-chloro-benzoic acid CAS Name: 3-(5-bromo-8-nitro-1,3-dioxo-2-benzo[de]isoquinolinyl)-4-chlorobenzoic acid IUPAC Name: 3-(5-bromo-8-nitro-1,3-dioxobenzo[de]isoquinolin-2-yl)-4-chlorobenzoic acid Traditional Name: 3-(5-bromo-1,3-diketo-8-nitro-benzo[de]isoquinolin-2-yl)-4-chloro-benzoic acid Formula: C19H8BrClN2O6 MolecularWeight: 475.63362

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)O)N2C(=O)C3=CC(=CC4=CC(=CC(=C43)C2=O)[N+](=O)[O-])Br)Cl

Isomeric SMILES

C1=CC(=C(C=C1C(=O)O)N2C(=O)C3=CC(=CC4=CC(=CC(=C43)C2=O)[N+](=O)[O-])Br)Cl

InChI

InChI=1S/C19H8BrClN2O6/c20-10-3-9-4-11(23(28)29)7-13-16(9)12(6-10)17(24)22(18(13)25)15-5-8(19(26)27)1-2-14(15)21/h1-7H,(H,26,27)