tert-butyl (E)-2-chloranyl-3-[2-(3-methoxy-1-methyl-5-oxidanylidene-1,2,4-triazol-4-yl)phenyl]prop-2-enoate

Systemtic Name: tert-butyl (E)-2-chloranyl-3-[2-(3-methoxy-1-methyl-5-oxidanylidene-1,2,4-triazol-4-yl)phenyl]prop-2-enoate Openeye Name: tert-butyl (E)-2-chloro-3-[2-(3-methoxy-1-methyl-5-oxo-1,2,4-triazol-4-yl)phenyl]prop-2-enoate CAS Name: (E)-2-chloro-3-[2-(3-methoxy-1-methyl-5-oxo-1,2,4-triazol-4-yl)phenyl]-2-propenoic acid tert-butyl ester IUPAC Name: tert-butyl (E)-2-chloro-3-[2-(3-methoxy-1-methyl-5-oxo-1,2,4-triazol-4-yl)phenyl]prop-2-enoate Traditional Name: (E)-2-chloro-3-[2-(5-keto-3-methoxy-1-methyl-1,2,4-triazol-4-yl)phenyl]acrylic acid tert-butyl ester Formula: C17H20ClN3O4 MolecularWeight: 365.8114

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(=CC1=CC=CC=C1N2C(=NN(C2=O)C)OC)Cl

Isomeric SMILES

CC(C)(C)OC(=O)/C(=C\C1=CC=CC=C1N2C(=NN(C2=O)C)OC)/Cl

InChI

InChI=1S/C17H20ClN3O4/c1-17(2,3)25-14(22)12(18)10-11-8-6-7-9-13(11)21-15(24-5)19-20(4)16(21)23/h6-10H,1-5H3/b12-10+