(2-azanyl-2-oxidanylidene-ethyl) (E)-3-[5-chloranyl-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]prop-2-enoate

Systemtic Name: (2-azanyl-2-oxidanylidene-ethyl) (E)-3-[5-chloranyl-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]prop-2-enoate Openeye Name: (2-amino-2-oxo-ethyl) (E)-3-(5-chloro-1-isobutyl-3-methyl-pyrazol-4-yl)prop-2-enoate CAS Name: (E)-3-[5-chloro-3-methyl-1-(2-methylpropyl)-4-pyrazolyl]-2-propenoic acid (2-amino-2-oxoethyl) ester IUPAC Name: (2-amino-2-oxoethyl) (E)-3-[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]prop-2-enoate Traditional Name: (E)-3-(5-chloro-1-isobutyl-3-methyl-pyrazol-4-yl)acrylic acid (2-amino-2-keto-ethyl) ester Formula: C13H18ClN3O3 MolecularWeight: 299.75332

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C=CC(=O)OCC(=O)N)Cl)CC(C)C

Isomeric SMILES

CC1=NN(C(=C1/C=C/C(=O)OCC(=O)N)Cl)CC(C)C

InChI

InChI=1S/C13H18ClN3O3/c1-8(2)6-17-13(14)10(9(3)16-17)4-5-12(19)20-7-11(15)18/h4-5,8H,6-7H2,1-3H3,(H2,15,18)/b5-4+