methyl (2E)-5-chloranyl-4-(2-methoxy-2-oxidanylidene-ethyl)-2-[(3-oxidanylidene-5-pyrazin-2-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-pyrazin-2-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-pyrazin-2-yl-1,2-dihydropyrazol-4-yl)methylene]pyrrole-3-carboxylate CAS Name: (2E)-5-chloro-4-(2-methoxy-2-oxoethyl)-2-[[3-oxo-5-(2-pyrazinyl)-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-pyrazin-2-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-pyrazin-2-yl-3-pyrazolin-4-yl)methylene]pyrrole-3-carboxylic acid methyl ester Formula: C17H14ClN5O5 MolecularWeight: 403.77656

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H14ClN5O5/c1-27-12(24)6-8-13(17(26)28-2)10(21-15(8)18)5-9-14(22-23-16(9)25)11-7-19-3-4-20-11/h3-5,7H,6H2,1-2H3,(H2,22,23,25)/b10-5+