ethyl (5Z)-2,4-dimethyl-5-[(3-oxidanylidene-5-propan-2-yloxy-1,2-dihydropyrazol-4-yl)methylidene]pyrrole-3-carboxylate

Systemtic Name: ethyl (5Z)-2,4-dimethyl-5-[(3-oxidanylidene-5-propan-2-yloxy-1,2-dihydropyrazol-4-yl)methylidene]pyrrole-3-carboxylate Openeye Name: ethyl (5Z)-5-[(3-isopropoxy-5-oxo-1,2-dihydropyrazol-4-yl)methylene]-2,4-dimethyl-pyrrole-3-carboxylate CAS Name: (5Z)-2,4-dimethyl-5-[(3-oxo-5-propan-2-yloxy-1,2-dihydropyrazol-4-yl)methylidene]-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl (5Z)-2,4-dimethyl-5-[(3-oxo-5-propan-2-yloxy-1,2-dihydropyrazol-4-yl)methylidene]pyrrole-3-carboxylate Traditional Name: (5Z)-5-[(3-isopropoxy-5-keto-3-pyrazolin-4-yl)methylene]-2,4-dimethyl-pyrrole-3-carboxylic acid ethyl ester Formula: C16H21N3O4 MolecularWeight: 319.35564

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=CC2=C(NNC2=O)OC(C)C)N=C1C)C

Isomeric SMILES

CCOC(=O)C1=C(/C(=C/C2=C(NNC2=O)OC(C)C)/N=C1C)C

InChI

InChI=1S/C16H21N3O4/c1-6-22-16(21)13-9(4)12(17-10(13)5)7-11-14(20)18-19-15(11)23-8(2)3/h7-8H,6H2,1-5H3,(H2,18,19,20)/b12-7-