[(2Z)-2-[(4-methylphenyl)methylidene]-3-oxidanylidene-1-benzofuran-6-yl] N,N-diethylcarbamate

Systemtic Name: [(2Z)-2-[(4-methylphenyl)methylidene]-3-oxidanylidene-1-benzofuran-6-yl] N,N-diethylcarbamate Openeye Name: [(2Z)-3-oxo-2-(p-tolylmethylene)benzofuran-6-yl] N,N-diethylcarbamate CAS Name: N,N-diethylcarbamic acid [(2Z)-2-[(4-methylphenyl)methylidene]-3-oxo-6-benzofuranyl] ester IUPAC Name: [(2Z)-2-[(4-methylphenyl)methylidene]-3-oxo-1-benzofuran-6-yl] N,N-diethylcarbamate Traditional Name: N,N-diethylcarbamic acid [(2Z)-3-keto-2-(4-methylbenzylidene)coumaran-6-yl] ester Formula: C21H21NO4 MolecularWeight: 351.39574

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)OC1=CC2=C(C=C1)C(=O)C(=CC3=CC=C(C=C3)C)O2

Isomeric SMILES

CCN(CC)C(=O)OC1=CC2=C(C=C1)C(=O)/C(=C/C3=CC=C(C=C3)C)/O2

InChI

InChI=1S/C21H21NO4/c1-4-22(5-2)21(24)25-16-10-11-17-18(13-16)26-19(20(17)23)12-15-8-6-14(3)7-9-15/h6-13H,4-5H2,1-3H3/b19-12-