pyridin-3-yl (4Z)-4-(aminocarbonylhydrazinylidene)-3,6,6-trimethyl-5,7-dihydro-1-benzofuran-2-carboxylate

Systemtic Name: pyridin-3-yl (4Z)-4-(aminocarbonylhydrazinylidene)-3,6,6-trimethyl-5,7-dihydro-1-benzofuran-2-carboxylate Openeye Name: 3-pyridyl (4Z)-4-(carbamoylhydrazono)-3,6,6-trimethyl-5,7-dihydrobenzofuran-2-carboxylate CAS Name: (4Z)-4-(carbamoylhydrazinylidene)-3,6,6-trimethyl-5,7-dihydrobenzofuran-2-carboxylic acid 3-pyridinyl ester IUPAC Name: pyridin-3-yl (4Z)-4-(carbamoylhydrazinylidene)-3,6,6-trimethyl-5,7-dihydro-1-benzofuran-2-carboxylate Traditional Name: (4Z)-3,6,6-trimethyl-4-semicarbazono-5,7-dihydrobenzofuran-2-carboxylic acid 3-pyridyl ester Formula: C18H20N4O4 MolecularWeight: 356.3758

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C(=NNC(=O)N)CC(C2)(C)C)C(=O)OC3=CN=CC=C3

Isomeric SMILES

CC1=C(OC2=C1/C(=N\NC(=O)N)/CC(C2)(C)C)C(=O)OC3=CN=CC=C3

InChI

InChI=1S/C18H20N4O4/c1-10-14-12(21-22-17(19)24)7-18(2,3)8-13(14)26-15(10)16(23)25-11-5-4-6-20-9-11/h4-6,9H,7-8H2,1-3H3,(H3,19,22,24)/b21-12-