methyl 3-(2-bromanylethanoylamino)-5-pyrrol-1-yl-benzoate

Systemtic Name: methyl 3-(2-bromanylethanoylamino)-5-pyrrol-1-yl-benzoate Openeye Name: methyl 3-[(2-bromoacetyl)amino]-5-pyrrol-1-yl-benzoate CAS Name: 3-[(2-bromo-1-oxoethyl)amino]-5-(1-pyrrolyl)benzoic acid methyl ester IUPAC Name: methyl 3-[(2-bromoacetyl)amino]-5-pyrrol-1-ylbenzoate Traditional Name: 3-[(2-bromoacetyl)amino]-5-pyrrol-1-yl-benzoic acid methyl ester Formula: C14H13BrN2O3 MolecularWeight: 337.16862

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC(=O)CBr)N2C=CC=C2

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC(=O)CBr)N2C=CC=C2

InChI

InChI=1S/C14H13BrN2O3/c1-20-14(19)10-6-11(16-13(18)9-15)8-12(7-10)17-4-2-3-5-17/h2-8H,9H2,1H3,(H,16,18)