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

Systemtic Name: [1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] 3-methyl-2-nitro-benzoate Openeye Name: (1-allophanoyl-2-methyl-propyl) 3-methyl-2-nitro-benzoate CAS Name: 3-methyl-2-nitrobenzoic acid [1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] ester IUPAC Name: [1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 3-methyl-2-nitrobenzoate Traditional Name: 3-methyl-2-nitro-benzoic acid (1-allophanoyl-2-methyl-propyl) ester Formula: C14H17N3O6 MolecularWeight: 323.30128

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1[N+](=O)[O-])C(=O)OC(C(C)C)C(=O)NC(=O)N

Isomeric SMILES

CC1=CC=CC(=C1[N+](=O)[O-])C(=O)OC(C(C)C)C(=O)NC(=O)N

InChI

InChI=1S/C14H17N3O6/c1-7(2)11(12(18)16-14(15)20)23-13(19)9-6-4-5-8(3)10(9)17(21)22/h4-7,11H,1-3H3,(H3,15,16,18,20)