[1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanoate

Systemtic Name: [1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanoate Openeye Name: (1-allophanoyl-2-methyl-propyl) 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetate CAS Name: 2-(3,5-dimethyl-4-nitro-1-pyrazolyl)acetic acid [1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] ester IUPAC Name: [1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetate Traditional Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetic acid (1-allophanoyl-2-methyl-propyl) ester Formula: C13H19N5O6 MolecularWeight: 341.31986

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(=O)OC(C(C)C)C(=O)NC(=O)N)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC(=O)OC(C(C)C)C(=O)NC(=O)N)C)[N+](=O)[O-]

InChI

InChI=1S/C13H19N5O6/c1-6(2)11(12(20)15-13(14)21)24-9(19)5-17-8(4)10(18(22)23)7(3)16-17/h6,11H,5H2,1-4H3,(H3,14,15,20,21)