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

Systemtic Name: methyl (2Z)-5-chloranyl-2-[(3-cyclopropyloxy-5-oxidanylidene-1,2-dihydropyrazol-4-yl)methylidene]-4-(2-methoxy-2-oxidanylidene-ethyl)pyrrole-3-carboxylate Openeye Name: methyl (2Z)-5-chloro-2-[[3-(cyclopropoxy)-5-oxo-1,2-dihydropyrazol-4-yl]methylene]-4-(2-methoxy-2-oxo-ethyl)pyrrole-3-carboxylate CAS Name: (2Z)-5-chloro-2-[(3-cyclopropyloxy-5-oxo-1,2-dihydropyrazol-4-yl)methylidene]-4-(2-methoxy-2-oxoethyl)-3-pyrrolecarboxylic acid methyl ester IUPAC Name: methyl (2Z)-5-chloro-2-[(3-cyclopropyloxy-5-oxo-1,2-dihydropyrazol-4-yl)methylidene]-4-(2-methoxy-2-oxoethyl)pyrrole-3-carboxylate Traditional Name: (2Z)-5-chloro-2-[[3-(cyclopropoxy)-5-keto-3-pyrazolin-4-yl]methylene]-4-(2-keto-2-methoxy-ethyl)pyrrole-3-carboxylic acid methyl ester Formula: C16H16ClN3O6 MolecularWeight: 381.76774

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1=C(C(=CC2=C(NNC2=O)OC3CC3)N=C1Cl)C(=O)OC

Isomeric SMILES

COC(=O)CC1=C(/C(=C/C2=C(NNC2=O)OC3CC3)/N=C1Cl)C(=O)OC

InChI

InChI=1S/C16H16ClN3O6/c1-24-11(21)6-8-12(16(23)25-2)10(18-13(8)17)5-9-14(22)19-20-15(9)26-7-3-4-7/h5,7H,3-4,6H2,1-2H3,(H2,19,20,22)/b10-5-