[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxidanylidene-butan-2-yl] 4-bromanyl-1H-pyrrole-2-carboxylate

Systemtic Name: [1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxidanylidene-butan-2-yl] 4-bromanyl-1H-pyrrole-2-carboxylate Openeye Name: 1-[(5-methylisoxazol-3-yl)carbamoyl]propyl 4-bromo-1H-pyrrole-2-carboxylate CAS Name: 4-bromo-1H-pyrrole-2-carboxylic acid [1-[(5-methyl-3-isoxazolyl)amino]-1-oxobutan-2-yl] ester IUPAC Name: [1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] 4-bromo-1H-pyrrole-2-carboxylate Traditional Name: 4-bromo-1H-pyrrole-2-carboxylic acid 1-[(5-methylisoxazol-3-yl)carbamoyl]propyl ester Formula: C13H14BrN3O4 MolecularWeight: 356.17196

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=NOC(=C1)C)OC(=O)C2=CC(=CN2)Br

Isomeric SMILES

CCC(C(=O)NC1=NOC(=C1)C)OC(=O)C2=CC(=CN2)Br

InChI

InChI=1S/C13H14BrN3O4/c1-3-10(12(18)16-11-4-7(2)21-17-11)20-13(19)9-5-8(14)6-15-9/h4-6,10,15H,3H2,1-2H3,(H,16,17,18)