3-[6-(4-nitrophenyl)carbonyl-2-oxidanylidene-1,3-benzoxazol-3-yl]propanenitrile

Systemtic Name: 3-[6-(4-nitrophenyl)carbonyl-2-oxidanylidene-1,3-benzoxazol-3-yl]propanenitrile Openeye Name: 3-[6-(4-nitrobenzoyl)-2-oxo-1,3-benzoxazol-3-yl]propanenitrile CAS Name: 3-[6-[(4-nitrophenyl)-oxomethyl]-2-oxo-1,3-benzoxazol-3-yl]propanenitrile IUPAC Name: 3-[6-(4-nitrobenzoyl)-2-oxo-1,3-benzoxazol-3-yl]propanenitrile Traditional Name: 3-[2-keto-6-(4-nitrobenzoyl)-1,3-benzoxazol-3-yl]propionitrile Formula: C17H11N3O5 MolecularWeight: 337.28634

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)C2=CC3=C(C=C2)N(C(=O)O3)CCC#N)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C(=O)C2=CC3=C(C=C2)N(C(=O)O3)CCC#N)[N+](=O)[O-]

InChI

InChI=1S/C17H11N3O5/c18-8-1-9-19-14-7-4-12(10-15(14)25-17(19)22)16(21)11-2-5-13(6-3-11)20(23)24/h2-7,10H,1,9H2