3-[(4-bromanyl-1-methyl-pyrrol-2-yl)carbonylamino]-4-methyl-benzoate

Systemtic Name: 3-[(4-bromanyl-1-methyl-pyrrol-2-yl)carbonylamino]-4-methyl-benzoate Openeye Name: 3-[(4-bromo-1-methyl-pyrrole-2-carbonyl)amino]-4-methyl-benzoate CAS Name: 3-[[(4-bromo-1-methyl-2-pyrrolyl)-oxomethyl]amino]-4-methylbenzoate IUPAC Name: 3-[(4-bromo-1-methylpyrrole-2-carbonyl)amino]-4-methylbenzoate Traditional Name: 3-[(4-bromo-1-methyl-pyrrole-2-carbonyl)amino]-4-methyl-benzoate Formula: C14H12BrN2O3- MolecularWeight: 336.16068

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)[O-])NC(=O)C2=CC(=CN2C)Br

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)[O-])NC(=O)C2=CC(=CN2C)Br

InChI

InChI=1S/C14H13BrN2O3/c1-8-3-4-9(14(19)20)5-11(8)16-13(18)12-6-10(15)7-17(12)2/h3-7H,1-2H3,(H,16,18)(H,19,20)/p-1