ethyl 5-[(3E)-3-(aminocarbonylhydrazinylidene)butyl]-3-methyl-1-benzofuran-2-carboxylate

Systemtic Name: ethyl 5-[(3E)-3-(aminocarbonylhydrazinylidene)butyl]-3-methyl-1-benzofuran-2-carboxylate Openeye Name: ethyl 5-[(3E)-3-(carbamoylhydrazono)butyl]-3-methyl-benzofuran-2-carboxylate CAS Name: 5-[(3E)-3-(carbamoylhydrazinylidene)butyl]-3-methyl-2-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 5-[(3E)-3-(carbamoylhydrazinylidene)butyl]-3-methyl-1-benzofuran-2-carboxylate Traditional Name: 3-methyl-5-[(3E)-3-semicarbazonobutyl]coumarilic acid ethyl ester Formula: C17H21N3O4 MolecularWeight: 331.36634

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(O1)C=CC(=C2)CCC(=NNC(=O)N)C)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(O1)C=CC(=C2)CC/C(=N/NC(=O)N)/C)C

InChI

InChI=1S/C17H21N3O4/c1-4-23-16(21)15-11(3)13-9-12(7-8-14(13)24-15)6-5-10(2)19-20-17(18)22/h7-9H,4-6H2,1-3H3,(H3,18,20,22)/b19-10+