[4-[(E)-[1-(4-bromophenyl)-3-methyl-5-oxidanylidene-pyrazol-4-ylidene]methyl]-2-methoxy-phenyl] propanoate

Systemtic Name: [4-[(E)-[1-(4-bromophenyl)-3-methyl-5-oxidanylidene-pyrazol-4-ylidene]methyl]-2-methoxy-phenyl] propanoate Openeye Name: [4-[(E)-[1-(4-bromophenyl)-3-methyl-5-oxo-pyrazol-4-ylidene]methyl]-2-methoxy-phenyl] propanoate CAS Name: propanoic acid [4-[(E)-[1-(4-bromophenyl)-3-methyl-5-oxo-4-pyrazolylidene]methyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(E)-[1-(4-bromophenyl)-3-methyl-5-oxopyrazol-4-ylidene]methyl]-2-methoxyphenyl] propanoate Traditional Name: propionic acid [4-[(E)-[1-(4-bromophenyl)-5-keto-3-methyl-2-pyrazolin-4-ylidene]methyl]-2-methoxy-phenyl] ester Formula: C21H19BrN2O4 MolecularWeight: 443.29056

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OC1=C(C=C(C=C1)C=C2C(=NN(C2=O)C3=CC=C(C=C3)Br)C)OC

Isomeric SMILES

CCC(=O)OC1=C(C=C(C=C1)/C=C/2\C(=NN(C2=O)C3=CC=C(C=C3)Br)C)OC

InChI

InChI=1S/C21H19BrN2O4/c1-4-20(25)28-18-10-5-14(12-19(18)27-3)11-17-13(2)23-24(21(17)26)16-8-6-15(22)7-9-16/h5-12H,4H2,1-3H3/b17-11+