3-[4-(hydroxyiminomethyl)-3-(2-oxidanylidenechromen-3-yl)pyrazol-1-yl]propanenitrile

Systemtic Name: 3-[4-(hydroxyiminomethyl)-3-(2-oxidanylidenechromen-3-yl)pyrazol-1-yl]propanenitrile Openeye Name: 3-[4-(hydroxyiminomethyl)-3-(2-oxochromen-3-yl)pyrazol-1-yl]propanenitrile CAS Name: 3-[4-(hydroxyiminomethyl)-3-(2-oxo-1-benzopyran-3-yl)-1-pyrazolyl]propanenitrile IUPAC Name: 3-[4-(hydroxyiminomethyl)-3-(2-oxochromen-3-yl)pyrazol-1-yl]propanenitrile Traditional Name: 3-[4-(hydroximinomethyl)-3-(2-ketochromen-3-yl)pyrazol-1-yl]propionitrile Formula: C16H12N4O3 MolecularWeight: 308.29148

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(C(=O)O2)C3=NN(C=C3C=NO)CCC#N

Isomeric SMILES

C1=CC=C2C(=C1)C=C(C(=O)O2)C3=NN(C=C3C=NO)CCC#N

InChI

InChI=1S/C16H12N4O3/c17-6-3-7-20-10-12(9-18-22)15(19-20)13-8-11-4-1-2-5-14(11)23-16(13)21/h1-2,4-5,8-10,22H,3,7H2