3-[6-(2-chlorophenyl)carbonyl-2-oxidanylidene-1,3-benzoxazol-3-yl]propanenitrile

Systemtic Name: 3-[6-(2-chlorophenyl)carbonyl-2-oxidanylidene-1,3-benzoxazol-3-yl]propanenitrile Openeye Name: 3-[6-(2-chlorobenzoyl)-2-oxo-1,3-benzoxazol-3-yl]propanenitrile CAS Name: 3-[6-[(2-chlorophenyl)-oxomethyl]-2-oxo-1,3-benzoxazol-3-yl]propanenitrile IUPAC Name: 3-[6-(2-chlorobenzoyl)-2-oxo-1,3-benzoxazol-3-yl]propanenitrile Traditional Name: 3-[6-(2-chlorobenzoyl)-2-keto-1,3-benzoxazol-3-yl]propionitrile Formula: C17H11ClN2O3 MolecularWeight: 326.73384

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)C2=CC3=C(C=C2)N(C(=O)O3)CCC#N)Cl

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)C2=CC3=C(C=C2)N(C(=O)O3)CCC#N)Cl

InChI

InChI=1S/C17H11ClN2O3/c18-13-5-2-1-4-12(13)16(21)11-6-7-14-15(10-11)23-17(22)20(14)9-3-8-19/h1-2,4-7,10H,3,9H2