4-[1,3-bis(oxidanylidene)-5-pyrrol-1-yl-benzo[de]isoquinolin-2-yl]butanoic acid

Systemtic Name: 4-[1,3-bis(oxidanylidene)-5-pyrrol-1-yl-benzo[de]isoquinolin-2-yl]butanoic acid Openeye Name: 4-(1,3-dioxo-5-pyrrol-1-yl-benzo[de]isoquinolin-2-yl)butanoic acid CAS Name: 4-[1,3-dioxo-5-(1-pyrrolyl)-2-benzo[de]isoquinolinyl]butanoic acid IUPAC Name: 4-(1,3-dioxo-5-pyrrol-1-ylbenzo[de]isoquinolin-2-yl)butanoic acid Traditional Name: 4-(1,3-diketo-5-pyrrol-1-yl-benzo[de]isoquinolin-2-yl)butyric acid Formula: C20H16N2O4 MolecularWeight: 348.35204

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(C=C1)C2=CC3=C4C(=C2)C=CC=C4C(=O)N(C3=O)CCCC(=O)O

Isomeric SMILES

C1=CN(C=C1)C2=CC3=C4C(=C2)C=CC=C4C(=O)N(C3=O)CCCC(=O)O

InChI

InChI=1S/C20H16N2O4/c23-17(24)7-4-10-22-19(25)15-6-3-5-13-11-14(21-8-1-2-9-21)12-16(18(13)15)20(22)26/h1-3,5-6,8-9,11-12H,4,7,10H2,(H,23,24)