3-[(5-bromanyl-2-iodanyl-phenyl)carbonylamino]-4-methyl-benzoic acid

Systemtic Name: 3-[(5-bromanyl-2-iodanyl-phenyl)carbonylamino]-4-methyl-benzoic acid Openeye Name: 3-[(5-bromo-2-iodo-benzoyl)amino]-4-methyl-benzoic acid CAS Name: 3-[[(5-bromo-2-iodophenyl)-oxomethyl]amino]-4-methylbenzoic acid IUPAC Name: 3-[(5-bromo-2-iodobenzoyl)amino]-4-methylbenzoic acid Traditional Name: 3-[(5-bromo-2-iodo-benzoyl)amino]-4-methyl-benzoic acid Formula: C15H11BrINO3 MolecularWeight: 460.06121

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)NC(=O)C2=C(C=CC(=C2)Br)I

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)NC(=O)C2=C(C=CC(=C2)Br)I

InChI

InChI=1S/C15H11BrINO3/c1-8-2-3-9(15(20)21)6-13(8)18-14(19)11-7-10(16)4-5-12(11)17/h2-7H,1H3,(H,18,19)(H,20,21)