2-[[2-[(2-chlorophenyl)methyl]-6-ethoxycarbonyl-3-oxidanyl-5-oxidanylidene-pyridazin-4-yl]carbonylamino]ethanoic acid

Systemtic Name: 2-[[2-[(2-chlorophenyl)methyl]-6-ethoxycarbonyl-3-oxidanyl-5-oxidanylidene-pyridazin-4-yl]carbonylamino]ethanoic acid Openeye Name: 2-[[2-[(2-chlorophenyl)methyl]-6-ethoxycarbonyl-3-hydroxy-5-oxo-pyridazine-4-carbonyl]amino]acetic acid CAS Name: 2-[[[2-[(2-chlorophenyl)methyl]-6-ethoxycarbonyl-3-hydroxy-5-oxo-4-pyridazinyl]-oxomethyl]amino]acetic acid IUPAC Name: 2-[[2-[(2-chlorophenyl)methyl]-6-ethoxycarbonyl-3-hydroxy-5-oxopyridazine-4-carbonyl]amino]acetic acid Traditional Name: 2-[[6-carbethoxy-2-(2-chlorobenzyl)-3-hydroxy-5-keto-pyridazine-4-carbonyl]amino]acetic acid Formula: C17H16ClN3O7 MolecularWeight: 409.77784

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(=C(C1=O)C(=O)NCC(=O)O)O)CC2=CC=CC=C2Cl

Isomeric SMILES

CCOC(=O)C1=NN(C(=C(C1=O)C(=O)NCC(=O)O)O)CC2=CC=CC=C2Cl

InChI

InChI=1S/C17H16ClN3O7/c1-2-28-17(27)13-14(24)12(15(25)19-7-11(22)23)16(26)21(20-13)8-9-5-3-4-6-10(9)18/h3-6,26H,2,7-8H2,1H3,(H,19,25)(H,22,23)