ethyl (E)-3-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)carbonylamino]but-2-enoate

Systemtic Name: ethyl (E)-3-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)carbonylamino]but-2-enoate Openeye Name: ethyl (E)-3-[(3,5-dimethyl-1-phenyl-pyrazole-4-carbonyl)amino]but-2-enoate CAS Name: (E)-3-[[(3,5-dimethyl-1-phenyl-4-pyrazolyl)-oxomethyl]amino]-2-butenoic acid ethyl ester IUPAC Name: ethyl (E)-3-[(3,5-dimethyl-1-phenylpyrazole-4-carbonyl)amino]but-2-enoate Traditional Name: (E)-3-[(3,5-dimethyl-1-phenyl-pyrazole-4-carbonyl)amino]but-2-enoic acid ethyl ester Formula: C18H21N3O3 MolecularWeight: 327.37764

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=C(C)NC(=O)C1=C(N(N=C1C)C2=CC=CC=C2)C

Isomeric SMILES

CCOC(=O)/C=C(\C)/NC(=O)C1=C(N(N=C1C)C2=CC=CC=C2)C

InChI

InChI=1S/C18H21N3O3/c1-5-24-16(22)11-12(2)19-18(23)17-13(3)20-21(14(17)4)15-9-7-6-8-10-15/h6-11H,5H2,1-4H3,(H,19,23)/b12-11+