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

Systemtic Name: (4Z)-4-(aminocarbonylhydrazinylidene)-3,6,6-trimethyl-5,7-dihydro-1-benzofuran-2-carboxylate Openeye Name: (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-carboxylate IUPAC Name: (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-carboxylate Formula: C13H16N3O4- MolecularWeight: 278.28384

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C(=NNC(=O)N)CC(C2)(C)C)C(=O)[O-]

Isomeric SMILES

CC1=C(OC2=C1/C(=N\NC(=O)N)/CC(C2)(C)C)C(=O)[O-]

InChI

InChI=1S/C13H17N3O4/c1-6-9-7(15-16-12(14)19)4-13(2,3)5-8(9)20-10(6)11(17)18/h4-5H2,1-3H3,(H,17,18)(H3,14,16,19)/p-1/b15-7-