methyl (E)-4-(1-phenylpyrazol-4-yl)but-2-enoate

Systemtic Name: methyl (E)-4-(1-phenylpyrazol-4-yl)but-2-enoate Openeye Name: methyl (E)-4-(1-phenylpyrazol-4-yl)but-2-enoate CAS Name: (E)-4-(1-phenyl-4-pyrazolyl)-2-butenoic acid methyl ester IUPAC Name: methyl (E)-4-(1-phenylpyrazol-4-yl)but-2-enoate Traditional Name: (E)-4-(1-phenylpyrazol-4-yl)but-2-enoic acid methyl ester Formula: C14H14N2O2 MolecularWeight: 242.27316

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C=CCC1=CN(N=C1)C2=CC=CC=C2

Isomeric SMILES

COC(=O)/C=C/CC1=CN(N=C1)C2=CC=CC=C2

InChI

InChI=1S/C14H14N2O2/c1-18-14(17)9-5-6-12-10-15-16(11-12)13-7-3-2-4-8-13/h2-5,7-11H,6H2,1H3/b9-5+