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5-azanyl-3-[(Z)-2-(6-chloranyl-1,3-benzodioxol-5-yl)-1-cyano-ethenyl]-1-(2-hydroxyethyl)pyrazole-4-carbonitrile

5-azanyl-3-[(Z)-2-(6-chloranyl-1,3-benzodioxol-5-yl)-1-cyano-ethenyl]-1-(2-hydroxyethyl)pyrazole-4-carbonitrile

Systemtic Name:5-azanyl-3-[(Z)-2-(6-chloranyl-1,3-benzodioxol-5-yl)-1-cyano-ethenyl]-1-(2-hydroxyethyl)pyrazole-4-carbonitrile
Openeye Name:5-amino-3-[(Z)-2-(6-chloro-1,3-benzodioxol-5-yl)-1-cyano-vinyl]-1-(2-hydroxyethyl)pyrazole-4-carbonitrile
CAS Name:5-amino-3-[(Z)-2-(6-chloro-1,3-benzodioxol-5-yl)-1-cyanoethenyl]-1-(2-hydroxyethyl)-4-pyrazolecarbonitrile
IUPAC Name:5-amino-3-[(Z)-2-(6-chloro-1,3-benzodioxol-5-yl)-1-cyanoethenyl]-1-(2-hydroxyethyl)pyrazole-4-carbonitrile
Traditional Name:5-amino-3-[(Z)-2-(6-chloro-1,3-benzodioxol-5-yl)-1-cyano-vinyl]-1-(2-hydroxyethyl)pyrazole-4-carbonitrile
Formula: C16H12ClN5O3
MolecularWeight: 357.75118
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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)Cl


Isomeric SMILES

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


InChI

InChI=1S/C16H12ClN5O3/c17-12-5-14-13(24-8-25-14)4-9(12)3-10(6-18)15-11(7-19)16(20)22(21-15)1-2-23/h3-5,23H,1-2,8,20H2/b10-3+


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