3-[[2-[(2-chlorophenyl)methyl]-6-ethyl-3-oxidanyl-5-oxidanylidene-pyridazin-4-yl]carbamoylamino]propanoic acid

Systemtic Name: 3-[[2-[(2-chlorophenyl)methyl]-6-ethyl-3-oxidanyl-5-oxidanylidene-pyridazin-4-yl]carbamoylamino]propanoic acid Openeye Name: 3-[[2-[(2-chlorophenyl)methyl]-6-ethyl-3-hydroxy-5-oxo-pyridazin-4-yl]carbamoylamino]propanoic acid CAS Name: 3-[[[[2-[(2-chlorophenyl)methyl]-6-ethyl-3-hydroxy-5-oxo-4-pyridazinyl]amino]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[2-[(2-chlorophenyl)methyl]-6-ethyl-3-hydroxy-5-oxopyridazin-4-yl]carbamoylamino]propanoic acid Traditional Name: 3-[[2-(2-chlorobenzyl)-6-ethyl-3-hydroxy-5-keto-pyridazin-4-yl]carbamoylamino]propionic acid Formula: C17H19ClN4O5 MolecularWeight: 394.80956

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN(C(=C(C1=O)NC(=O)NCCC(=O)O)O)CC2=CC=CC=C2Cl

Isomeric SMILES

CCC1=NN(C(=C(C1=O)NC(=O)NCCC(=O)O)O)CC2=CC=CC=C2Cl

InChI

InChI=1S/C17H19ClN4O5/c1-2-12-15(25)14(20-17(27)19-8-7-13(23)24)16(26)22(21-12)9-10-5-3-4-6-11(10)18/h3-6,26H,2,7-9H2,1H3,(H,23,24)(H2,19,20,27)