3-[3-(3-bromophenyl)-4-[(Z)-(3-methyl-5-oxidanylidene-1-phenyl-pyrazol-4-ylidene)methyl]pyrazol-1-yl]propanoate

Systemtic Name: 3-[3-(3-bromophenyl)-4-[(Z)-(3-methyl-5-oxidanylidene-1-phenyl-pyrazol-4-ylidene)methyl]pyrazol-1-yl]propanoate Openeye Name: 3-[3-(3-bromophenyl)-4-[(Z)-(3-methyl-5-oxo-1-phenyl-pyrazol-4-ylidene)methyl]pyrazol-1-yl]propanoate CAS Name: 3-[3-(3-bromophenyl)-4-[(Z)-(3-methyl-5-oxo-1-phenyl-4-pyrazolylidene)methyl]-1-pyrazolyl]propanoate IUPAC Name: 3-[3-(3-bromophenyl)-4-[(Z)-(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)methyl]pyrazol-1-yl]propanoate Traditional Name: 3-[3-(3-bromophenyl)-4-[(Z)-(5-keto-3-methyl-1-phenyl-2-pyrazolin-4-ylidene)methyl]pyrazol-1-yl]propionate Formula: C23H18BrN4O3- MolecularWeight: 478.31802

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=CC2=CN(N=C2C3=CC(=CC=C3)Br)CCC(=O)[O-])C4=CC=CC=C4

Isomeric SMILES

CC\1=NN(C(=O)/C1=C\C2=CN(N=C2C3=CC(=CC=C3)Br)CCC(=O)[O-])C4=CC=CC=C4

InChI

InChI=1S/C23H19BrN4O3/c1-15-20(23(31)28(25-15)19-8-3-2-4-9-19)13-17-14-27(11-10-21(29)30)26-22(17)16-6-5-7-18(24)12-16/h2-9,12-14H,10-11H2,1H3,(H,29,30)/p-1/b20-13-