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

Systemtic Name: 3-[4-(hydroxymethyl)-3-(2-oxidanylidenechromen-3-yl)pyrazol-1-yl]propanenitrile Openeye Name: 3-[4-(hydroxymethyl)-3-(2-oxochromen-3-yl)pyrazol-1-yl]propanenitrile CAS Name: 3-[4-(hydroxymethyl)-3-(2-oxo-1-benzopyran-3-yl)-1-pyrazolyl]propanenitrile IUPAC Name: 3-[4-(hydroxymethyl)-3-(2-oxochromen-3-yl)pyrazol-1-yl]propanenitrile Traditional Name: 3-[3-(2-ketochromen-3-yl)-4-methylol-pyrazol-1-yl]propionitrile Formula: C16H13N3O3 MolecularWeight: 295.29272

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(C(=O)O2)C3=NN(C=C3CO)CCC#N

Isomeric SMILES

C1=CC=C2C(=C1)C=C(C(=O)O2)C3=NN(C=C3CO)CCC#N

InChI

InChI=1S/C16H13N3O3/c17-6-3-7-19-9-12(10-20)15(18-19)13-8-11-4-1-2-5-14(11)22-16(13)21/h1-2,4-5,8-9,20H,3,7,10H2