tert-butyl N-[(E)-4-azanyl-4-azanylidene-3-(2,3-dihydro-1-benzofuran-3-yl)-2-ethyl-but-2-enoyl]carbamate

Systemtic Name: tert-butyl N-[(E)-4-azanyl-4-azanylidene-3-(2,3-dihydro-1-benzofuran-3-yl)-2-ethyl-but-2-enoyl]carbamate Openeye Name: tert-butyl N-[(E)-4-amino-3-(2,3-dihydrobenzofuran-3-yl)-2-ethyl-4-imino-but-2-enoyl]carbamate CAS Name: N-[(E)-4-amino-3-(2,3-dihydrobenzofuran-3-yl)-2-ethyl-4-imino-1-oxobut-2-enyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(E)-4-amino-3-(2,3-dihydro-1-benzofuran-3-yl)-2-ethyl-4-iminobut-2-enoyl]carbamate Traditional Name: N-[(E)-4-amino-3-coumaran-3-yl-2-ethyl-4-imino-but-2-enoyl]carbamic acid tert-butyl ester Formula: C19H25N3O4 MolecularWeight: 359.4195

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=C(C1COC2=CC=CC=C12)C(=N)N)C(=O)NC(=O)OC(C)(C)C

Isomeric SMILES

CC/C(=C(/C1COC2=CC=CC=C12)\C(=N)N)/C(=O)NC(=O)OC(C)(C)C

InChI

InChI=1S/C19H25N3O4/c1-5-11(17(23)22-18(24)26-19(2,3)4)15(16(20)21)13-10-25-14-9-7-6-8-12(13)14/h6-9,13H,5,10H2,1-4H3,(H3,20,21)(H,22,23,24)/b15-11+