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

Systemtic Name: 4-[3-[6-chloranyl-1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]propanoylamino]butanoic acid Openeye Name: 4-[3-(6-chloro-1,3-dioxo-benzo[de]isoquinolin-2-yl)propanoylamino]butanoic acid CAS Name: 4-[[3-(6-chloro-1,3-dioxo-2-benzo[de]isoquinolinyl)-1-oxopropyl]amino]butanoic acid IUPAC Name: 4-[3-(6-chloro-1,3-dioxobenzo[de]isoquinolin-2-yl)propanoylamino]butanoic acid Traditional Name: 4-[3-(6-chloro-1,3-diketo-benzo[de]isoquinolin-2-yl)propanoylamino]butyric acid Formula: C19H17ClN2O5 MolecularWeight: 388.80168

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CC3=C2C(=C1)C(=O)N(C3=O)CCC(=O)NCCCC(=O)O)Cl

Isomeric SMILES

C1=CC2=C(C=CC3=C2C(=C1)C(=O)N(C3=O)CCC(=O)NCCCC(=O)O)Cl

InChI

InChI=1S/C19H17ClN2O5/c20-14-7-6-13-17-11(14)3-1-4-12(17)18(26)22(19(13)27)10-8-15(23)21-9-2-5-16(24)25/h1,3-4,6-7H,2,5,8-10H2,(H,21,23)(H,24,25)