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

Systemtic Name: 3-[1,3-bis(oxidanylidene)-6-pyrrol-1-yl-benzo[de]isoquinolin-2-yl]-4-chloranyl-benzoic acid Openeye Name: 4-chloro-3-(1,3-dioxo-6-pyrrol-1-yl-benzo[de]isoquinolin-2-yl)benzoic acid CAS Name: 4-chloro-3-[1,3-dioxo-6-(1-pyrrolyl)-2-benzo[de]isoquinolinyl]benzoic acid IUPAC Name: 4-chloro-3-(1,3-dioxo-6-pyrrol-1-ylbenzo[de]isoquinolin-2-yl)benzoic acid Traditional Name: 4-chloro-3-(1,3-diketo-6-pyrrol-1-yl-benzo[de]isoquinolin-2-yl)benzoic acid Formula: C23H13ClN2O4 MolecularWeight: 416.81332

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(C=C1)C2=C3C=CC=C4C3=C(C=C2)C(=O)N(C4=O)C5=C(C=CC(=C5)C(=O)O)Cl

Isomeric SMILES

C1=CN(C=C1)C2=C3C=CC=C4C3=C(C=C2)C(=O)N(C4=O)C5=C(C=CC(=C5)C(=O)O)Cl

InChI

InChI=1S/C23H13ClN2O4/c24-17-8-6-13(23(29)30)12-19(17)26-21(27)15-5-3-4-14-18(25-10-1-2-11-25)9-7-16(20(14)15)22(26)28/h1-12H,(H,29,30)