2-[5-[(Z)-N-[(4-bromanyl-1H-pyrrol-2-yl)carbonylamino]-C-methyl-carbonimidoyl]-2-methoxy-phenyl]ethanoic acid

Systemtic Name: 2-[5-[(Z)-N-[(4-bromanyl-1H-pyrrol-2-yl)carbonylamino]-C-methyl-carbonimidoyl]-2-methoxy-phenyl]ethanoic acid Openeye Name: 2-[5-[(Z)-N-[(4-bromo-1H-pyrrole-2-carbonyl)amino]-C-methyl-carbonimidoyl]-2-methoxy-phenyl]acetic acid CAS Name: 2-[5-[(1Z)-1-[[(4-bromo-1H-pyrrol-2-yl)-oxomethyl]hydrazinylidene]ethyl]-2-methoxyphenyl]acetic acid IUPAC Name: 2-[5-[(Z)-N-[(4-bromo-1H-pyrrole-2-carbonyl)amino]-C-methylcarbonimidoyl]-2-methoxyphenyl]acetic acid Traditional Name: 2-[5-[(Z)-N-[(4-bromo-1H-pyrrole-2-carbonyl)amino]-C-methyl-carbonimidoyl]-2-methoxy-phenyl]acetic acid Formula: C16H16BrN3O4 MolecularWeight: 394.21994

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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