4-[[4-(9-chloranyl-1-oxidanylidene-2H-benzo[h]isoquinolin-4-yl)phenyl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[[4-(9-chloranyl-1-oxidanylidene-2H-benzo[h]isoquinolin-4-yl)phenyl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[4-(9-chloro-1-oxo-2H-benzo[h]isoquinolin-4-yl)anilino]-4-oxo-butanoic acid CAS Name: 4-[4-(9-chloro-1-oxo-2H-benzo[h]isoquinolin-4-yl)anilino]-4-oxobutanoic acid IUPAC Name: 4-[4-(9-chloro-1-oxo-2H-benzo[h]isoquinolin-4-yl)anilino]-4-oxobutanoic acid Traditional Name: 4-[4-(9-chloro-1-keto-2H-benz[h]isoquinolin-4-yl)anilino]-4-keto-butyric acid Formula: C23H17ClN2O4 MolecularWeight: 420.84508

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC2=C1C=CC3=C2C(=O)NC=C3C4=CC=C(C=C4)NC(=O)CCC(=O)O)Cl

Isomeric SMILES

C1=CC(=CC2=C1C=CC3=C2C(=O)NC=C3C4=CC=C(C=C4)NC(=O)CCC(=O)O)Cl

InChI

InChI=1S/C23H17ClN2O4/c24-15-5-1-13-4-8-17-19(12-25-23(30)22(17)18(13)11-15)14-2-6-16(7-3-14)26-20(27)9-10-21(28)29/h1-8,11-12H,9-10H2,(H,25,30)(H,26,27)(H,28,29)