2-[4-[(Z)-N-[(4-bromanyl-1H-pyrrol-2-yl)carbonylamino]-C-ethyl-carbonimidoyl]phenoxy]ethanoate

Systemtic Name: 2-[4-[(Z)-N-[(4-bromanyl-1H-pyrrol-2-yl)carbonylamino]-C-ethyl-carbonimidoyl]phenoxy]ethanoate Openeye Name: 2-[4-[(Z)-N-[(4-bromo-1H-pyrrole-2-carbonyl)amino]-C-ethyl-carbonimidoyl]phenoxy]acetate CAS Name: 2-[4-[(1Z)-1-[[(4-bromo-1H-pyrrol-2-yl)-oxomethyl]hydrazinylidene]propyl]phenoxy]acetate IUPAC Name: 2-[4-[(Z)-N-[(4-bromo-1H-pyrrole-2-carbonyl)amino]-C-ethylcarbonimidoyl]phenoxy]acetate Traditional Name: 2-[4-[(Z)-N-[(4-bromo-1H-pyrrole-2-carbonyl)amino]-C-ethyl-carbonimidoyl]phenoxy]acetate Formula: C16H15BrN3O4- MolecularWeight: 393.212

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=NNC(=O)C1=CC(=CN1)Br)C2=CC=C(C=C2)OCC(=O)[O-]

Isomeric SMILES

CC/C(=N/NC(=O)C1=CC(=CN1)Br)/C2=CC=C(C=C2)OCC(=O)[O-]

InChI

InChI=1S/C16H16BrN3O4/c1-2-13(19-20-16(23)14-7-11(17)8-18-14)10-3-5-12(6-4-10)24-9-15(21)22/h3-8,18H,2,9H2,1H3,(H,20,23)(H,21,22)/p-1/b19-13-