2,3,4,5-tetrakis(bromanyl)-6-[(5-nitro-2-oxidanyl-phenyl)carbamoyl]benzoic acid

Systemtic Name: 2,3,4,5-tetrakis(bromanyl)-6-[(5-nitro-2-oxidanyl-phenyl)carbamoyl]benzoic acid Openeye Name: 2,3,4,5-tetrabromo-6-[(2-hydroxy-5-nitro-phenyl)carbamoyl]benzoic acid CAS Name: 2,3,4,5-tetrabromo-6-[(2-hydroxy-5-nitroanilino)-oxomethyl]benzoic acid IUPAC Name: 2,3,4,5-tetrabromo-6-[(2-hydroxy-5-nitrophenyl)carbamoyl]benzoic acid Traditional Name: 2,3,4,5-tetrabromo-6-[(2-hydroxy-5-nitro-phenyl)carbamoyl]benzoic acid Formula: C14H6Br4N2O6 MolecularWeight: 617.82324

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1[N+](=O)[O-])NC(=O)C2=C(C(=C(C(=C2Br)Br)Br)Br)C(=O)O)O

Isomeric SMILES

C1=CC(=C(C=C1[N+](=O)[O-])NC(=O)C2=C(C(=C(C(=C2Br)Br)Br)Br)C(=O)O)O

InChI

InChI=1S/C14H6Br4N2O6/c15-9-7(8(14(23)24)10(16)12(18)11(9)17)13(22)19-5-3-4(20(25)26)1-2-6(5)21/h1-3,21H,(H,19,22)(H,23,24)