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

Systemtic Name: 3-[3-(4-methylphenyl)-4-[(E)-3-oxidanidyl-3-oxidanylidene-prop-1-enyl]pyrazol-1-yl]propanoate Openeye Name: 3-[4-[(E)-3-oxido-3-oxo-prop-1-enyl]-3-(p-tolyl)pyrazol-1-yl]propanoate CAS Name: 3-[3-(4-methylphenyl)-4-[(E)-3-oxido-3-oxoprop-1-enyl]-1-pyrazolyl]propanoate IUPAC Name: 3-[3-(4-methylphenyl)-4-[(E)-3-oxido-3-oxoprop-1-enyl]pyrazol-1-yl]propanoate Traditional Name: 3-[4-[(E)-3-keto-3-oxido-prop-1-enyl]-3-(p-tolyl)pyrazol-1-yl]propionate Formula: C16H14N2O4-2 MolecularWeight: 298.29336

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C=C2C=CC(=O)[O-])CCC(=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C=C2/C=C/C(=O)[O-])CCC(=O)[O-]

InChI

InChI=1S/C16H16N2O4/c1-11-2-4-12(5-3-11)16-13(6-7-14(19)20)10-18(17-16)9-8-15(21)22/h2-7,10H,8-9H2,1H3,(H,19,20)(H,21,22)/p-2/b7-6+