[4-[(E)-2-cyano-3-ethoxy-3-oxidanylidene-prop-1-enyl]phenyl] 4-bromanyl-1-methyl-pyrazole-3-carboxylate

Systemtic Name: [4-[(E)-2-cyano-3-ethoxy-3-oxidanylidene-prop-1-enyl]phenyl] 4-bromanyl-1-methyl-pyrazole-3-carboxylate Openeye Name: [4-[(E)-2-cyano-3-ethoxy-3-oxo-prop-1-enyl]phenyl] 4-bromo-1-methyl-pyrazole-3-carboxylate CAS Name: 4-bromo-1-methyl-3-pyrazolecarboxylic acid [4-[(E)-2-cyano-3-ethoxy-3-oxoprop-1-enyl]phenyl] ester IUPAC Name: [4-[(E)-2-cyano-3-ethoxy-3-oxoprop-1-enyl]phenyl] 4-bromo-1-methylpyrazole-3-carboxylate Traditional Name: 4-bromo-1-methyl-pyrazole-3-carboxylic acid [4-[(E)-2-cyano-3-ethoxy-3-keto-prop-1-enyl]phenyl] ester Formula: C17H14BrN3O4 MolecularWeight: 404.21476

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CC1=CC=C(C=C1)OC(=O)C2=NN(C=C2Br)C)C#N

Isomeric SMILES

CCOC(=O)/C(=C/C1=CC=C(C=C1)OC(=O)C2=NN(C=C2Br)C)/C#N

InChI

InChI=1S/C17H14BrN3O4/c1-3-24-16(22)12(9-19)8-11-4-6-13(7-5-11)25-17(23)15-14(18)10-21(2)20-15/h4-8,10H,3H2,1-2H3/b12-8+