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

Systemtic Name: (2-azanyl-2-oxidanylidene-ethyl) (E)-3-(1-butyl-5-chloranyl-3-methyl-pyrazol-4-yl)prop-2-enoate Openeye Name: (2-amino-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 (2-amino-2-oxoethyl) ester IUPAC Name: (2-amino-2-oxoethyl) (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 (2-amino-2-keto-ethyl) ester Formula: C13H18ClN3O3 MolecularWeight: 299.75332

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=N1)C)C=CC(=O)OCC(=O)N)Cl

Isomeric SMILES

CCCCN1C(=C(C(=N1)C)/C=C/C(=O)OCC(=O)N)Cl

InChI

InChI=1S/C13H18ClN3O3/c1-3-4-7-17-13(14)10(9(2)16-17)5-6-12(19)20-8-11(15)18/h5-6H,3-4,7-8H2,1-2H3,(H2,15,18)/b6-5+