[1-(cyclopropylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 4-bromanyl-1H-pyrrole-2-carboxylate

Systemtic Name: [1-(cyclopropylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 4-bromanyl-1H-pyrrole-2-carboxylate Openeye Name: [2-(cyclopropylcarbamoylamino)-1-methyl-2-oxo-ethyl] 4-bromo-1H-pyrrole-2-carboxylate CAS Name: 4-bromo-1H-pyrrole-2-carboxylic acid [1-[[(cyclopropylamino)-oxomethyl]amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-(cyclopropylcarbamoylamino)-1-oxopropan-2-yl] 4-bromo-1H-pyrrole-2-carboxylate Traditional Name: 4-bromo-1H-pyrrole-2-carboxylic acid [2-(cyclopropylcarbamoylamino)-2-keto-1-methyl-ethyl] ester Formula: C12H14BrN3O4 MolecularWeight: 344.16126

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NC1CC1)OC(=O)C2=CC(=CN2)Br

Isomeric SMILES

CC(C(=O)NC(=O)NC1CC1)OC(=O)C2=CC(=CN2)Br

InChI

InChI=1S/C12H14BrN3O4/c1-6(10(17)16-12(19)15-8-2-3-8)20-11(18)9-4-7(13)5-14-9/h4-6,8,14H,2-3H2,1H3,(H2,15,16,17,19)