methyl 1-[(E)-1-methoxy-1-oxidanylidene-4-phenyl-but-3-en-2-yl]-5-phenyl-pyrazole-4-carboxylate

Systemtic Name: methyl 1-[(E)-1-methoxy-1-oxidanylidene-4-phenyl-but-3-en-2-yl]-5-phenyl-pyrazole-4-carboxylate Openeye Name: methyl 1-[(E)-1-methoxycarbonyl-3-phenyl-allyl]-5-phenyl-pyrazole-4-carboxylate CAS Name: 1-[(E)-1-methoxy-1-oxo-4-phenylbut-3-en-2-yl]-5-phenyl-4-pyrazolecarboxylic acid methyl ester IUPAC Name: methyl 1-[(E)-1-methoxy-1-oxo-4-phenylbut-3-en-2-yl]-5-phenylpyrazole-4-carboxylate Traditional Name: 1-[(E)-1-carbomethoxy-3-phenyl-allyl]-5-phenyl-pyrazole-4-carboxylic acid methyl ester Formula: C22H20N2O4 MolecularWeight: 376.4052

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(N(N=C1)C(C=CC2=CC=CC=C2)C(=O)OC)C3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=C(N(N=C1)C(/C=C/C2=CC=CC=C2)C(=O)OC)C3=CC=CC=C3

InChI

InChI=1S/C22H20N2O4/c1-27-21(25)18-15-23-24(20(18)17-11-7-4-8-12-17)19(22(26)28-2)14-13-16-9-5-3-6-10-16/h3-15,19H,1-2H3/b14-13+