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

Systemtic Name: 3-[3-(3-bromophenyl)-4-[(E)-3-oxidanidyl-3-oxidanylidene-prop-1-enyl]pyrazol-1-yl]propanoate Openeye Name: 3-[3-(3-bromophenyl)-4-[(E)-3-oxido-3-oxo-prop-1-enyl]pyrazol-1-yl]propanoate CAS Name: 3-[3-(3-bromophenyl)-4-[(E)-3-oxido-3-oxoprop-1-enyl]-1-pyrazolyl]propanoate IUPAC Name: 3-[3-(3-bromophenyl)-4-[(E)-3-oxido-3-oxoprop-1-enyl]pyrazol-1-yl]propanoate Traditional Name: 3-[3-(3-bromophenyl)-4-[(E)-3-keto-3-oxido-prop-1-enyl]pyrazol-1-yl]propionate Formula: C15H11BrN2O4-2 MolecularWeight: 363.16284

Click to see the large picture

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=C2/C=C/C(=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)/p-2/b5-4+