N-[(E)-(5-cyano-1,2-dimethyl-pyrrol-3-yl)methylideneamino]-2,3-dihydro-1,4-benzodioxine-3-carboxamide

Systemtic Name: N-[(E)-(5-cyano-1,2-dimethyl-pyrrol-3-yl)methylideneamino]-2,3-dihydro-1,4-benzodioxine-3-carboxamide Openeye Name: N-[(E)-(5-cyano-1,2-dimethyl-pyrrol-3-yl)methyleneamino]-2,3-dihydro-1,4-benzodioxine-3-carboxamide CAS Name: N-[(E)-(5-cyano-1,2-dimethyl-3-pyrrolyl)methylideneamino]-2,3-dihydro-1,4-benzodioxin-3-carboxamide IUPAC Name: N-[(E)-(5-cyano-1,2-dimethylpyrrol-3-yl)methylideneamino]-2,3-dihydro-1,4-benzodioxine-3-carboxamide Traditional Name: N-[(E)-(5-cyano-1,2-dimethyl-pyrrol-3-yl)methyleneamino]-2,3-dihydro-1,4-benzodioxin-3-carboxamide Formula: C17H16N4O3 MolecularWeight: 324.33394

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(N1C)C#N)C=NNC(=O)C2COC3=CC=CC=C3O2

Isomeric SMILES

CC1=C(C=C(N1C)C#N)/C=N/NC(=O)C2COC3=CC=CC=C3O2

InChI

InChI=1S/C17H16N4O3/c1-11-12(7-13(8-18)21(11)2)9-19-20-17(22)16-10-23-14-5-3-4-6-15(14)24-16/h3-7,9,16H,10H2,1-2H3,(H,20,22)/b19-9+