methyl (2S)-2-benzamido-3-[2-(6-chloranylpyridazin-3-yl)-3-oxidanylidene-1H-pyrazol-4-yl]propanoate

Systemtic Name: methyl (2S)-2-benzamido-3-[2-(6-chloranylpyridazin-3-yl)-3-oxidanylidene-1H-pyrazol-4-yl]propanoate Openeye Name: methyl (2S)-2-benzamido-3-[2-(6-chloropyridazin-3-yl)-3-oxo-1H-pyrazol-4-yl]propanoate CAS Name: (2S)-2-benzamido-3-[2-(6-chloro-3-pyridazinyl)-3-oxo-1H-pyrazol-4-yl]propanoic acid methyl ester IUPAC Name: methyl (2S)-2-benzamido-3-[2-(6-chloropyridazin-3-yl)-3-oxo-1H-pyrazol-4-yl]propanoate Traditional Name: (2S)-2-benzamido-3-[1-(6-chloropyridazin-3-yl)-5-keto-3-pyrazolin-4-yl]propionic acid methyl ester Formula: C18H16ClN5O4 MolecularWeight: 401.80374

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CNN(C1=O)C2=NN=C(C=C2)Cl)NC(=O)C3=CC=CC=C3

Isomeric SMILES

COC(=O)[C@H](CC1=CNN(C1=O)C2=NN=C(C=C2)Cl)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C18H16ClN5O4/c1-28-18(27)13(21-16(25)11-5-3-2-4-6-11)9-12-10-20-24(17(12)26)15-8-7-14(19)22-23-15/h2-8,10,13,20H,9H2,1H3,(H,21,25)/t13-/m0/s1