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

Systemtic Name: [4-[(Z)-2-[5-azanyl-4-cyano-1-(2-hydroxyethyl)pyrazol-3-yl]-2-cyano-ethenyl]-2-bromanyl-6-methoxy-phenyl] ethanoate Openeye Name: [4-[(Z)-2-[5-amino-4-cyano-1-(2-hydroxyethyl)pyrazol-3-yl]-2-cyano-vinyl]-2-bromo-6-methoxy-phenyl] acetate CAS Name: acetic acid [4-[(Z)-2-[5-amino-4-cyano-1-(2-hydroxyethyl)-3-pyrazolyl]-2-cyanoethenyl]-2-bromo-6-methoxyphenyl] ester IUPAC Name: [4-[(Z)-2-[5-amino-4-cyano-1-(2-hydroxyethyl)pyrazol-3-yl]-2-cyanoethenyl]-2-bromo-6-methoxyphenyl] acetate Traditional Name: acetic acid [4-[(Z)-2-[5-amino-4-cyano-1-(2-hydroxyethyl)pyrazol-3-yl]-2-cyano-vinyl]-2-bromo-6-methoxy-phenyl] ester Formula: C18H16BrN5O4 MolecularWeight: 446.25474

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(C=C(C=C1Br)C=C(C#N)C2=NN(C(=C2C#N)N)CCO)OC

Isomeric SMILES

CC(=O)OC1=C(C=C(C=C1Br)/C=C(\C#N)/C2=NN(C(=C2C#N)N)CCO)OC

InChI

InChI=1S/C18H16BrN5O4/c1-10(26)28-17-14(19)6-11(7-15(17)27-2)5-12(8-20)16-13(9-21)18(22)24(23-16)3-4-25/h5-7,25H,3-4,22H2,1-2H3/b12-5+