3-[3-(4-bromophenyl)-4-[(E)-3-oxidanylidene-3-phenyl-prop-1-enyl]pyrazol-1-yl]propanoate

Systemtic Name: 3-[3-(4-bromophenyl)-4-[(E)-3-oxidanylidene-3-phenyl-prop-1-enyl]pyrazol-1-yl]propanoate Openeye Name: 3-[3-(4-bromophenyl)-4-[(E)-3-oxo-3-phenyl-prop-1-enyl]pyrazol-1-yl]propanoate CAS Name: 3-[3-(4-bromophenyl)-4-[(E)-3-oxo-3-phenylprop-1-enyl]-1-pyrazolyl]propanoate IUPAC Name: 3-[3-(4-bromophenyl)-4-[(E)-3-oxo-3-phenylprop-1-enyl]pyrazol-1-yl]propanoate Traditional Name: 3-[3-(4-bromophenyl)-4-[(E)-3-keto-3-phenyl-prop-1-enyl]pyrazol-1-yl]propionate Formula: C21H16BrN2O3- MolecularWeight: 424.26734

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C=CC2=CN(N=C2C3=CC=C(C=C3)Br)CCC(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C(=O)/C=C/C2=CN(N=C2C3=CC=C(C=C3)Br)CCC(=O)[O-]

InChI

InChI=1S/C21H17BrN2O3/c22-18-9-6-16(7-10-18)21-17(14-24(23-21)13-12-20(26)27)8-11-19(25)15-4-2-1-3-5-15/h1-11,14H,12-13H2,(H,26,27)/p-1/b11-8+