[1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] 4-ethanoyl-3,5-dimethyl-1H-pyrrole-2-carboxylate

Systemtic Name: [1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] 4-ethanoyl-3,5-dimethyl-1H-pyrrole-2-carboxylate Openeye Name: (1-allophanoyl-2-methyl-propyl) 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylate CAS Name: 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylic acid [1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] ester IUPAC Name: [1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylate Traditional Name: 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylic acid (1-allophanoyl-2-methyl-propyl) ester Formula: C15H21N3O5 MolecularWeight: 323.34434

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)C)C)C(=O)OC(C(C)C)C(=O)NC(=O)N

Isomeric SMILES

CC1=C(NC(=C1C(=O)C)C)C(=O)OC(C(C)C)C(=O)NC(=O)N

InChI

InChI=1S/C15H21N3O5/c1-6(2)12(13(20)18-15(16)22)23-14(21)11-7(3)10(9(5)19)8(4)17-11/h6,12,17H,1-5H3,(H3,16,18,20,22)