methyl 2-[4-[(Z)-2-(5-azanyl-4-cyano-1-phenyl-pyrazol-3-yl)-2-cyano-ethenyl]-2-bromanyl-6-ethoxy-phenoxy]ethanoate

Systemtic Name: methyl 2-[4-[(Z)-2-(5-azanyl-4-cyano-1-phenyl-pyrazol-3-yl)-2-cyano-ethenyl]-2-bromanyl-6-ethoxy-phenoxy]ethanoate Openeye Name: methyl 2-[4-[(Z)-2-(5-amino-4-cyano-1-phenyl-pyrazol-3-yl)-2-cyano-vinyl]-2-bromo-6-ethoxy-phenoxy]acetate CAS Name: 2-[4-[(Z)-2-(5-amino-4-cyano-1-phenyl-3-pyrazolyl)-2-cyanoethenyl]-2-bromo-6-ethoxyphenoxy]acetic acid methyl ester IUPAC Name: methyl 2-[4-[(Z)-2-(5-amino-4-cyano-1-phenylpyrazol-3-yl)-2-cyanoethenyl]-2-bromo-6-ethoxyphenoxy]acetate Traditional Name: 2-[4-[(Z)-2-(5-amino-4-cyano-1-phenyl-pyrazol-3-yl)-2-cyano-vinyl]-2-bromo-6-ethoxy-phenoxy]acetic acid methyl ester Formula: C24H20BrN5O4 MolecularWeight: 522.3507

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C=C(C#N)C2=NN(C(=C2C#N)N)C3=CC=CC=C3)Br)OCC(=O)OC

Isomeric SMILES

CCOC1=C(C(=CC(=C1)/C=C(\C#N)/C2=NN(C(=C2C#N)N)C3=CC=CC=C3)Br)OCC(=O)OC

InChI

InChI=1S/C24H20BrN5O4/c1-3-33-20-11-15(10-19(25)23(20)34-14-21(31)32-2)9-16(12-26)22-18(13-27)24(28)30(29-22)17-7-5-4-6-8-17/h4-11H,3,14,28H2,1-2H3/b16-9+