ethyl 5-[[(E)-3-(3-fluorophenyl)prop-2-enoyl]amino]-1-methyl-pyrazole-4-carboxylate

Systemtic Name: ethyl 5-[[(E)-3-(3-fluorophenyl)prop-2-enoyl]amino]-1-methyl-pyrazole-4-carboxylate Openeye Name: ethyl 5-[[(E)-3-(3-fluorophenyl)prop-2-enoyl]amino]-1-methyl-pyrazole-4-carboxylate CAS Name: 5-[[(E)-3-(3-fluorophenyl)-1-oxoprop-2-enyl]amino]-1-methyl-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[[(E)-3-(3-fluorophenyl)prop-2-enoyl]amino]-1-methylpyrazole-4-carboxylate Traditional Name: 5-[[(E)-3-(3-fluorophenyl)acryloyl]amino]-1-methyl-pyrazole-4-carboxylic acid ethyl ester Formula: C16H16FN3O3 MolecularWeight: 317.314943

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C)NC(=O)C=CC2=CC(=CC=C2)F

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C)NC(=O)/C=C/C2=CC(=CC=C2)F

InChI

InChI=1S/C16H16FN3O3/c1-3-23-16(22)13-10-18-20(2)15(13)19-14(21)8-7-11-5-4-6-12(17)9-11/h4-10H,3H2,1-2H3,(H,19,21)/b8-7+