2-[(4-bromanyl-3-phenoxy-phenyl)carbonylamino]-6-methoxy-benzoic acid

Systemtic Name: 2-[(4-bromanyl-3-phenoxy-phenyl)carbonylamino]-6-methoxy-benzoic acid Openeye Name: 2-[(4-bromo-3-phenoxy-benzoyl)amino]-6-methoxy-benzoic acid CAS Name: 2-[[(4-bromo-3-phenoxyphenyl)-oxomethyl]amino]-6-methoxybenzoic acid IUPAC Name: 2-[(4-bromo-3-phenoxybenzoyl)amino]-6-methoxybenzoic acid Traditional Name: 2-[(4-bromo-3-phenoxy-benzoyl)amino]-6-methoxy-benzoic acid Formula: C21H16BrNO5 MolecularWeight: 442.25944

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1C(=O)O)NC(=O)C2=CC(=C(C=C2)Br)OC3=CC=CC=C3

Isomeric SMILES

COC1=CC=CC(=C1C(=O)O)NC(=O)C2=CC(=C(C=C2)Br)OC3=CC=CC=C3

InChI

InChI=1S/C21H16BrNO5/c1-27-17-9-5-8-16(19(17)21(25)26)23-20(24)13-10-11-15(22)18(12-13)28-14-6-3-2-4-7-14/h2-12H,1H3,(H,23,24)(H,25,26)