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

Systemtic Name: ethyl 5-[(2-chloranylethanoylamino)carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 5-[[(2-chloroacetyl)amino]carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 5-[[(2-chloro-1-oxoethyl)hydrazo]-oxomethyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[[(2-chloroacetyl)amino]carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[[(2-chloroacetyl)amino]carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C12H16ClN3O4 MolecularWeight: 301.72614

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)NNC(=O)CCl)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)NNC(=O)CCl)C

InChI

InChI=1S/C12H16ClN3O4/c1-4-20-12(19)9-6(2)10(14-7(9)3)11(18)16-15-8(17)5-13/h14H,4-5H2,1-3H3,(H,15,17)(H,16,18)