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

Systemtic Name: 2-[4-[(Z)-N-[(4-bromanyl-1H-pyrrol-2-yl)carbonylamino]-C-methyl-carbonimidoyl]phenoxy]ethanoate Openeye Name: 2-[4-[(Z)-N-[(4-bromo-1H-pyrrole-2-carbonyl)amino]-C-methyl-carbonimidoyl]phenoxy]acetate CAS Name: 2-[4-[(1Z)-1-[[(4-bromo-1H-pyrrol-2-yl)-oxomethyl]hydrazinylidene]ethyl]phenoxy]acetate IUPAC Name: 2-[4-[(Z)-N-[(4-bromo-1H-pyrrole-2-carbonyl)amino]-C-methylcarbonimidoyl]phenoxy]acetate Traditional Name: 2-[4-[(Z)-N-[(4-bromo-1H-pyrrole-2-carbonyl)amino]-C-methyl-carbonimidoyl]phenoxy]acetate Formula: C15H13BrN3O4- MolecularWeight: 379.18542

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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-]

Isomeric SMILES

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

InChI

InChI=1S/C15H14BrN3O4/c1-9(18-19-15(22)13-6-11(16)7-17-13)10-2-4-12(5-3-10)23-8-14(20)21/h2-7,17H,8H2,1H3,(H,19,22)(H,20,21)/p-1/b18-9-