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

Systemtic Name: 5-azanyl-3-[(Z)-2-(6-bromanyl-1,3-benzodioxol-5-yl)-1-cyano-ethenyl]-1-(2-hydroxyethyl)pyrazole-4-carbonitrile Openeye Name: 5-amino-3-[(Z)-2-(6-bromo-1,3-benzodioxol-5-yl)-1-cyano-vinyl]-1-(2-hydroxyethyl)pyrazole-4-carbonitrile CAS Name: 5-amino-3-[(Z)-2-(6-bromo-1,3-benzodioxol-5-yl)-1-cyanoethenyl]-1-(2-hydroxyethyl)-4-pyrazolecarbonitrile IUPAC Name: 5-amino-3-[(Z)-2-(6-bromo-1,3-benzodioxol-5-yl)-1-cyanoethenyl]-1-(2-hydroxyethyl)pyrazole-4-carbonitrile Traditional Name: 5-amino-3-[(Z)-2-(6-bromo-1,3-benzodioxol-5-yl)-1-cyano-vinyl]-1-(2-hydroxyethyl)pyrazole-4-carbonitrile Formula: C16H12BrN5O3 MolecularWeight: 402.20218

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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)Br

Isomeric SMILES

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

InChI

InChI=1S/C16H12BrN5O3/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+