[1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] 4,5-dimethoxy-2-nitro-benzoate

Systemtic Name: [1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] 4,5-dimethoxy-2-nitro-benzoate Openeye Name: (1-allophanoyl-2-methyl-propyl) 4,5-dimethoxy-2-nitro-benzoate CAS Name: 4,5-dimethoxy-2-nitrobenzoic acid [1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] ester IUPAC Name: [1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 4,5-dimethoxy-2-nitrobenzoate Traditional Name: 4,5-dimethoxy-2-nitro-benzoic acid (1-allophanoyl-2-methyl-propyl) ester Formula: C15H19N3O8 MolecularWeight: 369.32666

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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[N+](=O)[O-])OC)OC

Isomeric SMILES

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

InChI

InChI=1S/C15H19N3O8/c1-7(2)12(13(19)17-15(16)21)26-14(20)8-5-10(24-3)11(25-4)6-9(8)18(22)23/h5-7,12H,1-4H3,(H3,16,17,19,21)