methyl 4-[(Z)-2-[5-azanyl-4-cyano-1-(2-hydroxyethyl)pyrazol-3-yl]-2-cyano-ethenyl]benzoate

Systemtic Name: methyl 4-[(Z)-2-[5-azanyl-4-cyano-1-(2-hydroxyethyl)pyrazol-3-yl]-2-cyano-ethenyl]benzoate Openeye Name: methyl 4-[(Z)-2-[5-amino-4-cyano-1-(2-hydroxyethyl)pyrazol-3-yl]-2-cyano-vinyl]benzoate CAS Name: 4-[(Z)-2-[5-amino-4-cyano-1-(2-hydroxyethyl)-3-pyrazolyl]-2-cyanoethenyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(Z)-2-[5-amino-4-cyano-1-(2-hydroxyethyl)pyrazol-3-yl]-2-cyanoethenyl]benzoate Traditional Name: 4-[(Z)-2-[5-amino-4-cyano-1-(2-hydroxyethyl)pyrazol-3-yl]-2-cyano-vinyl]benzoic acid methyl ester Formula: C17H15N5O3 MolecularWeight: 337.3327

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C=C(C#N)C2=NN(C(=C2C#N)N)CCO

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)/C=C(\C#N)/C2=NN(C(=C2C#N)N)CCO

InChI

InChI=1S/C17H15N5O3/c1-25-17(24)12-4-2-11(3-5-12)8-13(9-18)15-14(10-19)16(20)22(21-15)6-7-23/h2-5,8,23H,6-7,20H2,1H3/b13-8+