methyl 5-[[(4-bromanyl-1H-pyrrol-2-yl)carbonylamino]methyl]-2-methoxy-benzoate

Systemtic Name: methyl 5-[[(4-bromanyl-1H-pyrrol-2-yl)carbonylamino]methyl]-2-methoxy-benzoate Openeye Name: methyl 5-[[(4-bromo-1H-pyrrole-2-carbonyl)amino]methyl]-2-methoxy-benzoate CAS Name: 5-[[[(4-bromo-1H-pyrrol-2-yl)-oxomethyl]amino]methyl]-2-methoxybenzoic acid methyl ester IUPAC Name: methyl 5-[[(4-bromo-1H-pyrrole-2-carbonyl)amino]methyl]-2-methoxybenzoate Traditional Name: 5-[[(4-bromo-1H-pyrrole-2-carbonyl)amino]methyl]-2-methoxy-benzoic acid methyl ester Formula: C15H15BrN2O4 MolecularWeight: 367.1946

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=O)C2=CC(=CN2)Br)C(=O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=O)C2=CC(=CN2)Br)C(=O)OC

InChI

InChI=1S/C15H15BrN2O4/c1-21-13-4-3-9(5-11(13)15(20)22-2)7-18-14(19)12-6-10(16)8-17-12/h3-6,8,17H,7H2,1-2H3,(H,18,19)