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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C(N1)C(=O)OC(C(C)C)C(=O)NC(=O)N)C)C(=O)OC

Isomeric SMILES

CCC1=C(C(=C(N1)C(=O)OC(C(C)C)C(=O)NC(=O)N)C)C(=O)OC

InChI

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