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

Systemtic Name: 3-[4-[(E)-3-oxidanidyl-3-oxidanylidene-prop-1-enyl]-3-phenyl-pyrazol-1-yl]propanoate Openeye Name: 3-[4-[(E)-3-oxido-3-oxo-prop-1-enyl]-3-phenyl-pyrazol-1-yl]propanoate CAS Name: 3-[4-[(E)-3-oxido-3-oxoprop-1-enyl]-3-phenyl-1-pyrazolyl]propanoate IUPAC Name: 3-[4-[(E)-3-oxido-3-oxoprop-1-enyl]-3-phenylpyrazol-1-yl]propanoate Traditional Name: 3-[4-[(E)-3-keto-3-oxido-prop-1-enyl]-3-phenyl-pyrazol-1-yl]propionate Formula: C15H12N2O4-2 MolecularWeight: 284.26678

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN(C=C2C=CC(=O)[O-])CCC(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=NN(C=C2/C=C/C(=O)[O-])CCC(=O)[O-]

InChI

InChI=1S/C15H14N2O4/c18-13(19)7-6-12-10-17(9-8-14(20)21)16-15(12)11-4-2-1-3-5-11/h1-7,10H,8-9H2,(H,18,19)(H,20,21)/p-2/b7-6+