ethyl (E)-3-[[3-(4-chlorophenyl)-1H-pyrazol-5-yl]carbonylamino]but-2-enoate

Systemtic Name: ethyl (E)-3-[[3-(4-chlorophenyl)-1H-pyrazol-5-yl]carbonylamino]but-2-enoate Openeye Name: ethyl (E)-3-[[3-(4-chlorophenyl)-1H-pyrazole-5-carbonyl]amino]but-2-enoate CAS Name: (E)-3-[[[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-oxomethyl]amino]-2-butenoic acid ethyl ester IUPAC Name: ethyl (E)-3-[[3-(4-chlorophenyl)-1H-pyrazole-5-carbonyl]amino]but-2-enoate Traditional Name: (E)-3-[[3-(4-chlorophenyl)-1H-pyrazole-5-carbonyl]amino]but-2-enoic acid ethyl ester Formula: C16H16ClN3O3 MolecularWeight: 333.76954

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=C(C)NC(=O)C1=CC(=NN1)C2=CC=C(C=C2)Cl

Isomeric SMILES

CCOC(=O)/C=C(\C)/NC(=O)C1=CC(=NN1)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C16H16ClN3O3/c1-3-23-15(21)8-10(2)18-16(22)14-9-13(19-20-14)11-4-6-12(17)7-5-11/h4-9H,3H2,1-2H3,(H,18,22)(H,19,20)/b10-8+