methyl (2E)-5-chloranyl-4-(2-methoxy-2-oxidanylidene-ethyl)-2-[(3-oxidanylidene-5-phenethyl-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-phenethyl-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-phenethyl-1,2-dihydropyrazol-4-yl)methylene]pyrrole-3-carboxylate CAS Name: (2E)-5-chloro-4-(2-methoxy-2-oxoethyl)-2-[(3-oxo-5-phenethyl-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-phenethyl-1,2-dihydropyrazol-4-yl)methylidene]pyrrole-3-carboxylate Traditional Name: (2E)-5-chloro-4-(2-keto-2-methoxy-ethyl)-2-[(3-keto-5-phenethyl-3-pyrazolin-4-yl)methylene]pyrrole-3-carboxylic acid methyl ester Formula: C21H20ClN3O5 MolecularWeight: 429.8536

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1=C(C(=CC2=C(NNC2=O)CCC3=CC=CC=C3)N=C1Cl)C(=O)OC

Isomeric SMILES

COC(=O)CC1=C(/C(=C\C2=C(NNC2=O)CCC3=CC=CC=C3)/N=C1Cl)C(=O)OC

InChI

InChI=1S/C21H20ClN3O5/c1-29-17(26)11-14-18(21(28)30-2)16(23-19(14)22)10-13-15(24-25-20(13)27)9-8-12-6-4-3-5-7-12/h3-7,10H,8-9,11H2,1-2H3,(H2,24,25,27)/b16-10+