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

Systemtic Name: [1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] 4-(dimethylamino)-3-nitro-benzoate Openeye Name: (1-allophanoyl-2-methyl-propyl) 4-(dimethylamino)-3-nitro-benzoate CAS Name: 4-(dimethylamino)-3-nitrobenzoic acid [1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] ester IUPAC Name: [1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 4-(dimethylamino)-3-nitrobenzoate Traditional Name: 4-(dimethylamino)-3-nitro-benzoic acid (1-allophanoyl-2-methyl-propyl) ester Formula: C15H20N4O6 MolecularWeight: 352.3425

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20N4O6/c1-8(2)12(13(20)17-15(16)22)25-14(21)9-5-6-10(18(3)4)11(7-9)19(23)24/h5-8,12H,1-4H3,(H3,16,17,20,22)