methyl 5-chloranyl-2-[(Z)-(3-imidazol-2-ylidene-5-oxidanylidene-pyrazolidin-4-ylidene)methyl]-4-(2-methoxy-2-oxidanylidene-ethyl)-1H-pyrrole-3-carboxylate

Systemtic Name: methyl 5-chloranyl-2-[(Z)-(3-imidazol-2-ylidene-5-oxidanylidene-pyrazolidin-4-ylidene)methyl]-4-(2-methoxy-2-oxidanylidene-ethyl)-1H-pyrrole-3-carboxylate Openeye Name: methyl 5-chloro-2-[(Z)-(3-imidazol-2-ylidene-5-oxo-pyrazolidin-4-ylidene)methyl]-4-(2-methoxy-2-oxo-ethyl)-1H-pyrrole-3-carboxylate CAS Name: 5-chloro-2-[(Z)-[3-(2-imidazolylidene)-5-oxo-4-pyrazolidinylidene]methyl]-4-(2-methoxy-2-oxoethyl)-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl 5-chloro-2-[(Z)-(3-imidazol-2-ylidene-5-oxopyrazolidin-4-ylidene)methyl]-4-(2-methoxy-2-oxoethyl)-1H-pyrrole-3-carboxylate Traditional Name: 5-chloro-2-[(Z)-(3-imidazol-2-ylidene-5-keto-pyrazolidin-4-ylidene)methyl]-4-(2-keto-2-methoxy-ethyl)-1H-pyrrole-3-carboxylic acid methyl ester Formula: C16H14ClN5O5 MolecularWeight: 391.76586

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1=C(NC(=C1C(=O)OC)C=C2C(=C3N=CC=N3)NNC2=O)Cl

Isomeric SMILES

COC(=O)CC1=C(NC(=C1C(=O)OC)/C=C\2/C(=C3N=CC=N3)NNC2=O)Cl

InChI

InChI=1S/C16H14ClN5O5/c1-26-10(23)6-7-11(16(25)27-2)9(20-13(7)17)5-8-12(21-22-15(8)24)14-18-3-4-19-14/h3-5,20-21H,6H2,1-2H3,(H,22,24)/b8-5-