methyl (2E)-5-chloranyl-4-(2-methoxy-2-oxidanylidene-ethyl)-2-[(3-oxidanylidene-5-pyridin-3-yl-1,2-dihydropyrazol-4-yl)methylidene]pyrrole-3-carboxylate

Systemtic Name: methyl (2E)-5-chloranyl-4-(2-methoxy-2-oxidanylidene-ethyl)-2-[(3-oxidanylidene-5-pyridin-3-yl-1,2-dihydropyrazol-4-yl)methylidene]pyrrole-3-carboxylate Openeye Name: methyl (2E)-5-chloro-4-(2-methoxy-2-oxo-ethyl)-2-[[3-oxo-5-(3-pyridyl)-1,2-dihydropyrazol-4-yl]methylene]pyrrole-3-carboxylate CAS Name: (2E)-5-chloro-4-(2-methoxy-2-oxoethyl)-2-[[3-oxo-5-(3-pyridinyl)-1,2-dihydropyrazol-4-yl]methylidene]-3-pyrrolecarboxylic acid methyl ester IUPAC Name: methyl (2E)-5-chloro-4-(2-methoxy-2-oxoethyl)-2-[(3-oxo-5-pyridin-3-yl-1,2-dihydropyrazol-4-yl)methylidene]pyrrole-3-carboxylate Traditional Name: (2E)-5-chloro-4-(2-keto-2-methoxy-ethyl)-2-[[3-keto-5-(3-pyridyl)-3-pyrazolin-4-yl]methylene]pyrrole-3-carboxylic acid methyl ester Formula: C18H15ClN4O5 MolecularWeight: 402.7885

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1=C(C(=CC2=C(NNC2=O)C3=CN=CC=C3)N=C1Cl)C(=O)OC

Isomeric SMILES

COC(=O)CC1=C(/C(=C\C2=C(NNC2=O)C3=CN=CC=C3)/N=C1Cl)C(=O)OC

InChI

InChI=1S/C18H15ClN4O5/c1-27-13(24)7-10-14(18(26)28-2)12(21-16(10)19)6-11-15(22-23-17(11)25)9-4-3-5-20-8-9/h3-6,8H,7H2,1-2H3,(H2,22,23,25)/b12-6+