O3-[1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] O1-ethyl 5-nitrobenzene-1,3-dicarboxylate

Systemtic Name: O3-[1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] O1-ethyl 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O3-(1-allophanoyl-2-methyl-propyl) O1-ethyl 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] ester O1-ethyl ester IUPAC Name: 3-O-[1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 1-O-ethyl 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-(1-allophanoyl-2-methyl-propyl) ester O1-ethyl ester Formula: C16H19N3O8 MolecularWeight: 381.33736

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19N3O8/c1-4-26-14(21)9-5-10(7-11(6-9)19(24)25)15(22)27-12(8(2)3)13(20)18-16(17)23/h5-8,12H,4H2,1-3H3,(H3,17,18,20,23)