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

Systemtic Name: ethyl 5-[[(E)-3-(4-bromophenyl)prop-2-enoyl]amino]-1-phenyl-pyrazole-4-carboxylate Openeye Name: ethyl 5-[[(E)-3-(4-bromophenyl)prop-2-enoyl]amino]-1-phenyl-pyrazole-4-carboxylate CAS Name: 5-[[(E)-3-(4-bromophenyl)-1-oxoprop-2-enyl]amino]-1-phenyl-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[[(E)-3-(4-bromophenyl)prop-2-enoyl]amino]-1-phenylpyrazole-4-carboxylate Traditional Name: 5-[[(E)-3-(4-bromophenyl)acryloyl]amino]-1-phenyl-pyrazole-4-carboxylic acid ethyl ester Formula: C21H18BrN3O3 MolecularWeight: 440.28992

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=CC=CC=C2)NC(=O)C=CC3=CC=C(C=C3)Br

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=CC=CC=C2)NC(=O)/C=C/C3=CC=C(C=C3)Br

InChI

InChI=1S/C21H18BrN3O3/c1-2-28-21(27)18-14-23-25(17-6-4-3-5-7-17)20(18)24-19(26)13-10-15-8-11-16(22)12-9-15/h3-14H,2H2,1H3,(H,24,26)/b13-10+