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

Systemtic Name: 3-[1,3-bis(oxidanylidene)-6-pyrrol-1-yl-benzo[de]isoquinolin-2-yl]benzoic acid Openeye Name: 3-(1,3-dioxo-6-pyrrol-1-yl-benzo[de]isoquinolin-2-yl)benzoic acid CAS Name: 3-[1,3-dioxo-6-(1-pyrrolyl)-2-benzo[de]isoquinolinyl]benzoic acid IUPAC Name: 3-(1,3-dioxo-6-pyrrol-1-ylbenzo[de]isoquinolin-2-yl)benzoic acid Traditional Name: 3-(1,3-diketo-6-pyrrol-1-yl-benzo[de]isoquinolin-2-yl)benzoic acid Formula: C23H14N2O4 MolecularWeight: 382.36826

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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=CC=CC(=C5)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C23H14N2O4/c26-21-17-8-4-7-16-19(24-11-1-2-12-24)10-9-18(20(16)17)22(27)25(21)15-6-3-5-14(13-15)23(28)29/h1-13H,(H,28,29)