[(2R)-1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] 5-chloranyl-3-methyl-1-(phenylmethyl)pyrazole-4-carboxylate

Systemtic Name: [(2R)-1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] 5-chloranyl-3-methyl-1-(phenylmethyl)pyrazole-4-carboxylate Openeye Name: [(1R)-1-allophanoyl-2-methyl-propyl] 1-benzyl-5-chloro-3-methyl-pyrazole-4-carboxylate CAS Name: 5-chloro-3-methyl-1-(phenylmethyl)-4-pyrazolecarboxylic acid [(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] ester IUPAC Name: [(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 1-benzyl-5-chloro-3-methylpyrazole-4-carboxylate Traditional Name: 1-benzyl-5-chloro-3-methyl-pyrazole-4-carboxylic acid [(1R)-1-allophanoyl-2-methyl-propyl] ester Formula: C18H21ClN4O4 MolecularWeight: 392.83674

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)OC(C(C)C)C(=O)NC(=O)N)Cl)CC2=CC=CC=C2

Isomeric SMILES

CC1=NN(C(=C1C(=O)O[C@H](C(C)C)C(=O)NC(=O)N)Cl)CC2=CC=CC=C2

InChI

InChI=1S/C18H21ClN4O4/c1-10(2)14(16(24)21-18(20)26)27-17(25)13-11(3)22-23(15(13)19)9-12-7-5-4-6-8-12/h4-8,10,14H,9H2,1-3H3,(H3,20,21,24,26)/t14-/m1/s1