methyl 5-chloranyl-4-[2-cyano-3-[(2-methylpropan-2-yl)oxy]-3-oxidanylidene-propyl]-1H-pyrrole-2-carboxylate

Systemtic Name: methyl 5-chloranyl-4-[2-cyano-3-[(2-methylpropan-2-yl)oxy]-3-oxidanylidene-propyl]-1H-pyrrole-2-carboxylate Openeye Name: methyl 4-(3-tert-butoxy-2-cyano-3-oxo-propyl)-5-chloro-1H-pyrrole-2-carboxylate CAS Name: 5-chloro-4-[2-cyano-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-1H-pyrrole-2-carboxylic acid methyl ester IUPAC Name: methyl 5-chloro-4-[2-cyano-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-1H-pyrrole-2-carboxylate Traditional Name: 4-(3-tert-butoxy-2-cyano-3-keto-propyl)-5-chloro-1H-pyrrole-2-carboxylic acid methyl ester Formula: C14H17ClN2O4 MolecularWeight: 312.74878

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(CC1=C(NC(=C1)C(=O)OC)Cl)C#N

Isomeric SMILES

CC(C)(C)OC(=O)C(CC1=C(NC(=C1)C(=O)OC)Cl)C#N

InChI

InChI=1S/C14H17ClN2O4/c1-14(2,3)21-12(18)9(7-16)5-8-6-10(13(19)20-4)17-11(8)15/h6,9,17H,5H2,1-4H3