[(2R)-1-oxidanylidene-1-(prop-2-enylamino)propan-2-yl] (E)-3-(1-butyl-5-chloranyl-3-methyl-pyrazol-4-yl)prop-2-enoate

Systemtic Name: [(2R)-1-oxidanylidene-1-(prop-2-enylamino)propan-2-yl] (E)-3-(1-butyl-5-chloranyl-3-methyl-pyrazol-4-yl)prop-2-enoate Openeye Name: [(1R)-2-(allylamino)-1-methyl-2-oxo-ethyl] (E)-3-(1-butyl-5-chloro-3-methyl-pyrazol-4-yl)prop-2-enoate CAS Name: (E)-3-(1-butyl-5-chloro-3-methyl-4-pyrazolyl)-2-propenoic acid [(2R)-1-oxo-1-(prop-2-enylamino)propan-2-yl] ester IUPAC Name: [(2R)-1-oxo-1-(prop-2-enylamino)propan-2-yl] (E)-3-(1-butyl-5-chloro-3-methylpyrazol-4-yl)prop-2-enoate Traditional Name: (E)-3-(1-butyl-5-chloro-3-methyl-pyrazol-4-yl)acrylic acid [(1R)-2-(allylamino)-2-keto-1-methyl-ethyl] ester Formula: C17H24ClN3O3 MolecularWeight: 353.84376

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=N1)C)C=CC(=O)OC(C)C(=O)NCC=C)Cl

Isomeric SMILES

CCCCN1C(=C(C(=N1)C)/C=C/C(=O)O[C@H](C)C(=O)NCC=C)Cl

InChI

InChI=1S/C17H24ClN3O3/c1-5-7-11-21-16(18)14(12(3)20-21)8-9-15(22)24-13(4)17(23)19-10-6-2/h6,8-9,13H,2,5,7,10-11H2,1,3-4H3,(H,19,23)/b9-8+/t13-/m1/s1