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

Systemtic Name: methyl (2E)-2-[[3-[2-(4-aminophenyl)ethyl]-5-oxidanylidene-1,2-dihydropyrazol-4-yl]methylidene]-5-chloranyl-4-(2-methoxy-2-oxidanylidene-ethyl)pyrrole-3-carboxylate Openeye Name: methyl (2E)-2-[[3-[2-(4-aminophenyl)ethyl]-5-oxo-1,2-dihydropyrazol-4-yl]methylene]-5-chloro-4-(2-methoxy-2-oxo-ethyl)pyrrole-3-carboxylate CAS Name: (2E)-2-[[3-[2-(4-aminophenyl)ethyl]-5-oxo-1,2-dihydropyrazol-4-yl]methylidene]-5-chloro-4-(2-methoxy-2-oxoethyl)-3-pyrrolecarboxylic acid methyl ester IUPAC Name: methyl (2E)-2-[[3-[2-(4-aminophenyl)ethyl]-5-oxo-1,2-dihydropyrazol-4-yl]methylidene]-5-chloro-4-(2-methoxy-2-oxoethyl)pyrrole-3-carboxylate Traditional Name: (2E)-2-[[3-[2-(4-aminophenyl)ethyl]-5-keto-3-pyrazolin-4-yl]methylene]-5-chloro-4-(2-keto-2-methoxy-ethyl)pyrrole-3-carboxylic acid methyl ester Formula: C21H21ClN4O5 MolecularWeight: 444.86824

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21ClN4O5/c1-30-17(27)10-14-18(21(29)31-2)16(24-19(14)22)9-13-15(25-26-20(13)28)8-5-11-3-6-12(23)7-4-11/h3-4,6-7,9H,5,8,10,23H2,1-2H3,(H2,25,26,28)/b16-9+