ethyl (E)-3-[[1-[(2-chloranyl-5-methyl-phenoxy)methyl]pyrazol-3-yl]carbonylamino]but-2-enoate

Systemtic Name: ethyl (E)-3-[[1-[(2-chloranyl-5-methyl-phenoxy)methyl]pyrazol-3-yl]carbonylamino]but-2-enoate Openeye Name: ethyl (E)-3-[[1-[(2-chloro-5-methyl-phenoxy)methyl]pyrazole-3-carbonyl]amino]but-2-enoate CAS Name: (E)-3-[[[1-[(2-chloro-5-methylphenoxy)methyl]-3-pyrazolyl]-oxomethyl]amino]-2-butenoic acid ethyl ester IUPAC Name: ethyl (E)-3-[[1-[(2-chloro-5-methylphenoxy)methyl]pyrazole-3-carbonyl]amino]but-2-enoate Traditional Name: (E)-3-[[1-[(2-chloro-5-methyl-phenoxy)methyl]pyrazole-3-carbonyl]amino]but-2-enoic acid ethyl ester Formula: C18H20ClN3O4 MolecularWeight: 377.8221

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=C(C)NC(=O)C1=NN(C=C1)COC2=C(C=CC(=C2)C)Cl

Isomeric SMILES

CCOC(=O)/C=C(\C)/NC(=O)C1=NN(C=C1)COC2=C(C=CC(=C2)C)Cl

InChI

InChI=1S/C18H20ClN3O4/c1-4-25-17(23)10-13(3)20-18(24)15-7-8-22(21-15)11-26-16-9-12(2)5-6-14(16)19/h5-10H,4,11H2,1-3H3,(H,20,24)/b13-10+