3-[3-(3-bromophenyl)-4-(3-oxidanyl-3-oxidanylidene-prop-1-enyl)pyrazol-1-yl]propanoic acid

Systemtic Name: 3-[3-(3-bromophenyl)-4-(3-oxidanyl-3-oxidanylidene-prop-1-enyl)pyrazol-1-yl]propanoic acid Openeye Name: 3-[3-(3-bromophenyl)-4-(3-hydroxy-3-oxo-prop-1-enyl)pyrazol-1-yl]propanoic acid CAS Name: 3-[3-(3-bromophenyl)-4-(3-hydroxy-3-oxoprop-1-enyl)-1-pyrazolyl]propanoic acid IUPAC Name: 3-[3-(3-bromophenyl)-4-(3-hydroxy-3-oxoprop-1-enyl)pyrazol-1-yl]propanoic acid Traditional Name: 3-[3-(3-bromophenyl)-4-(3-hydroxy-3-keto-prop-1-enyl)pyrazol-1-yl]propionic acid Formula: C15H13BrN2O4 MolecularWeight: 365.17872

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H13BrN2O4/c16-12-3-1-2-10(8-12)15-11(4-5-13(19)20)9-18(17-15)7-6-14(21)22/h1-5,8-9H,6-7H2,(H,19,20)(H,21,22)