5-azanyl-3-[(E)-2-(1,3-benzodioxol-5-yl)-1-cyano-ethenyl]-1-(2-hydroxyethyl)pyrazole-4-carbonitrile

Systemtic Name: 5-azanyl-3-[(E)-2-(1,3-benzodioxol-5-yl)-1-cyano-ethenyl]-1-(2-hydroxyethyl)pyrazole-4-carbonitrile Openeye Name: 5-amino-3-[(E)-2-(1,3-benzodioxol-5-yl)-1-cyano-vinyl]-1-(2-hydroxyethyl)pyrazole-4-carbonitrile CAS Name: 5-amino-3-[(E)-2-(1,3-benzodioxol-5-yl)-1-cyanoethenyl]-1-(2-hydroxyethyl)-4-pyrazolecarbonitrile IUPAC Name: 5-amino-3-[(E)-2-(1,3-benzodioxol-5-yl)-1-cyanoethenyl]-1-(2-hydroxyethyl)pyrazole-4-carbonitrile Traditional Name: 5-amino-3-[(E)-2-(1,3-benzodioxol-5-yl)-1-cyano-vinyl]-1-(2-hydroxyethyl)pyrazole-4-carbonitrile Formula: C16H13N5O3 MolecularWeight: 323.30612

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C=C(C#N)C3=NN(C(=C3C#N)N)CCO

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)/C=C(/C#N)\C3=NN(C(=C3C#N)N)CCO

InChI

InChI=1S/C16H13N5O3/c17-7-11(5-10-1-2-13-14(6-10)24-9-23-13)15-12(8-18)16(19)21(20-15)3-4-22/h1-2,5-6,22H,3-4,9,19H2/b11-5-