[(2R)-1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] (E)-3-(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)prop-2-enoate

Systemtic Name: [(2R)-1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] (E)-3-(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)prop-2-enoate Openeye Name: [(1R)-1-allophanoyl-2-methyl-propyl] (E)-3-(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)prop-2-enoate CAS Name: (E)-3-(5-chloro-3-methyl-1-phenyl-4-pyrazolyl)-2-propenoic acid [(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] ester IUPAC Name: [(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] (E)-3-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)prop-2-enoate Traditional Name: (E)-3-(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)acrylic acid [(1R)-1-allophanoyl-2-methyl-propyl] ester Formula: C19H21ClN4O4 MolecularWeight: 404.84744

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C=CC(=O)OC(C(C)C)C(=O)NC(=O)N)Cl)C2=CC=CC=C2

Isomeric SMILES

CC1=NN(C(=C1/C=C/C(=O)O[C@H](C(C)C)C(=O)NC(=O)N)Cl)C2=CC=CC=C2

InChI

InChI=1S/C19H21ClN4O4/c1-11(2)16(18(26)22-19(21)27)28-15(25)10-9-14-12(3)23-24(17(14)20)13-7-5-4-6-8-13/h4-11,16H,1-3H3,(H3,21,22,26,27)/b10-9+/t16-/m1/s1