methyl 2,4-dimethyl-5-[(3-methylbutanoylamino)carbamoyl]-1H-pyrrole-3-carboxylate

Systemtic Name: methyl 2,4-dimethyl-5-[(3-methylbutanoylamino)carbamoyl]-1H-pyrrole-3-carboxylate Openeye Name: methyl 2,4-dimethyl-5-[(3-methylbutanoylamino)carbamoyl]-1H-pyrrole-3-carboxylate CAS Name: 2,4-dimethyl-5-[[(3-methyl-1-oxobutyl)hydrazo]-oxomethyl]-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl 2,4-dimethyl-5-[(3-methylbutanoylamino)carbamoyl]-1H-pyrrole-3-carboxylate Traditional Name: 5-[(isovalerylamino)carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid methyl ester Formula: C14H21N3O4 MolecularWeight: 295.33424

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)OC)C)C(=O)NNC(=O)CC(C)C

Isomeric SMILES

CC1=C(NC(=C1C(=O)OC)C)C(=O)NNC(=O)CC(C)C

InChI

InChI=1S/C14H21N3O4/c1-7(2)6-10(18)16-17-13(19)12-8(3)11(9(4)15-12)14(20)21-5/h7,15H,6H2,1-5H3,(H,16,18)(H,17,19)