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

Systemtic Name: 4-[(4-bromanyl-1-methyl-pyrrol-2-yl)carbonylamino]butanoate Openeye Name: 4-[(4-bromo-1-methyl-pyrrole-2-carbonyl)amino]butanoate CAS Name: 4-[[(4-bromo-1-methyl-2-pyrrolyl)-oxomethyl]amino]butanoate IUPAC Name: 4-[(4-bromo-1-methylpyrrole-2-carbonyl)amino]butanoate Traditional Name: 4-[(4-bromo-1-methyl-pyrrole-2-carbonyl)amino]butyrate Formula: C10H12BrN2O3- MolecularWeight: 288.11788

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)NCCCC(=O)[O-])Br

Isomeric SMILES

CN1C=C(C=C1C(=O)NCCCC(=O)[O-])Br

InChI

InChI=1S/C10H13BrN2O3/c1-13-6-7(11)5-8(13)10(16)12-4-2-3-9(14)15/h5-6H,2-4H2,1H3,(H,12,16)(H,14,15)/p-1