2-[4-[(E)-N-[(4-bromanyl-1H-pyrrol-2-yl)carbonylamino]-C-methyl-carbonimidoyl]-2-methoxy-phenoxy]ethanoic acid

Systemtic Name: 2-[4-[(E)-N-[(4-bromanyl-1H-pyrrol-2-yl)carbonylamino]-C-methyl-carbonimidoyl]-2-methoxy-phenoxy]ethanoic acid Openeye Name: 2-[4-[(E)-N-[(4-bromo-1H-pyrrole-2-carbonyl)amino]-C-methyl-carbonimidoyl]-2-methoxy-phenoxy]acetic acid CAS Name: 2-[4-[(1E)-1-[[(4-bromo-1H-pyrrol-2-yl)-oxomethyl]hydrazinylidene]ethyl]-2-methoxyphenoxy]acetic acid IUPAC Name: 2-[4-[(E)-N-[(4-bromo-1H-pyrrole-2-carbonyl)amino]-C-methylcarbonimidoyl]-2-methoxyphenoxy]acetic acid Traditional Name: 2-[4-[(E)-N-[(4-bromo-1H-pyrrole-2-carbonyl)amino]-C-methyl-carbonimidoyl]-2-methoxy-phenoxy]acetic acid Formula: C16H16BrN3O5 MolecularWeight: 410.21934

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=O)C1=CC(=CN1)Br)C2=CC(=C(C=C2)OCC(=O)O)OC

Isomeric SMILES

C/C(=N\NC(=O)C1=CC(=CN1)Br)/C2=CC(=C(C=C2)OCC(=O)O)OC

InChI

InChI=1S/C16H16BrN3O5/c1-9(19-20-16(23)12-6-11(17)7-18-12)10-3-4-13(14(5-10)24-2)25-8-15(21)22/h3-7,18H,8H2,1-2H3,(H,20,23)(H,21,22)/b19-9+