2-[[5-(6-chloranylpyridazin-3-yl)-2-oxidanylidene-6,7,8,9-tetrahydrobenzo[g]indol-3-yl]amino]oxy-4-oxidanyl-butanoic acid

Systemtic Name: 2-[[5-(6-chloranylpyridazin-3-yl)-2-oxidanylidene-6,7,8,9-tetrahydrobenzo[g]indol-3-yl]amino]oxy-4-oxidanyl-butanoic acid Openeye Name: 2-[[5-(6-chloropyridazin-3-yl)-2-oxo-6,7,8,9-tetrahydrobenzo[g]indol-3-yl]amino]oxy-4-hydroxy-butanoic acid CAS Name: 2-[[5-(6-chloro-3-pyridazinyl)-2-oxo-6,7,8,9-tetrahydrobenzo[g]indol-3-yl]amino]oxy-4-hydroxybutanoic acid IUPAC Name: 2-[[5-(6-chloropyridazin-3-yl)-2-oxo-6,7,8,9-tetrahydrobenzo[g]indol-3-yl]amino]oxy-4-hydroxybutanoic acid Traditional Name: 2-[[5-(6-chloropyridazin-3-yl)-2-keto-6,7,8,9-tetrahydrobenz[g]indol-3-yl]amino]oxy-4-hydroxy-butyric acid Formula: C20H19ClN4O5 MolecularWeight: 430.84166

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=CC3=C(C(=O)N=C23)NOC(CCO)C(=O)O)C4=NN=C(C=C4)Cl

Isomeric SMILES

C1CCC2=C(C1)C(=CC3=C(C(=O)N=C23)NOC(CCO)C(=O)O)C4=NN=C(C=C4)Cl

InChI

InChI=1S/C20H19ClN4O5/c21-16-6-5-14(23-24-16)12-9-13-17(11-4-2-1-3-10(11)12)22-19(27)18(13)25-30-15(7-8-26)20(28)29/h5-6,9,15,26H,1-4,7-8H2,(H,28,29)(H,22,25,27)