O4-[1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] O2-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate

Systemtic Name: O4-[1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] O2-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate Openeye Name: O4-(1-allophanoyl-2-methyl-propyl) O2-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate CAS Name: 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylic acid O4-[1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] ester O2-ethyl ester IUPAC Name: 4-O-[1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 2-O-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate Traditional Name: 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylic acid O4-(1-allophanoyl-2-methyl-propyl) ester O2-ethyl ester Formula: C16H23N3O6 MolecularWeight: 353.37032

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(N1)C)C(=O)OC(C(C)C)C(=O)NC(=O)N)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(N1)C)C(=O)OC(C(C)C)C(=O)NC(=O)N)C

InChI

InChI=1S/C16H23N3O6/c1-6-24-15(22)11-8(4)10(9(5)18-11)14(21)25-12(7(2)3)13(20)19-16(17)23/h7,12,18H,6H2,1-5H3,(H3,17,19,20,23)