[1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] 4-bromanyl-3-nitro-benzoate

Systemtic Name: [1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] 4-bromanyl-3-nitro-benzoate Openeye Name: (1-allophanoyl-2-methyl-propyl) 4-bromo-3-nitro-benzoate CAS Name: 4-bromo-3-nitrobenzoic acid [1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] ester IUPAC Name: [1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 4-bromo-3-nitrobenzoate Traditional Name: 4-bromo-3-nitro-benzoic acid (1-allophanoyl-2-methyl-propyl) ester Formula: C13H14BrN3O6 MolecularWeight: 388.17076

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(=O)N)OC(=O)C1=CC(=C(C=C1)Br)[N+](=O)[O-]

Isomeric SMILES

CC(C)C(C(=O)NC(=O)N)OC(=O)C1=CC(=C(C=C1)Br)[N+](=O)[O-]

InChI

InChI=1S/C13H14BrN3O6/c1-6(2)10(11(18)16-13(15)20)23-12(19)7-3-4-8(14)9(5-7)17(21)22/h3-6,10H,1-2H3,(H3,15,16,18,20)