2-[[4-[4-[(2-carboxy-5-nitro-phenyl)carbamoyl]phenyl]sulfonylphenyl]carbonylamino]-4-nitro-benzoic acid

Systemtic Name: 2-[[4-[4-[(2-carboxy-5-nitro-phenyl)carbamoyl]phenyl]sulfonylphenyl]carbonylamino]-4-nitro-benzoic acid Openeye Name: 2-[[4-[4-[(2-carboxy-5-nitro-phenyl)carbamoyl]phenyl]sulfonylbenzoyl]amino]-4-nitro-benzoic acid CAS Name: 2-[[[4-[4-[(2-carboxy-5-nitroanilino)-oxomethyl]phenyl]sulfonylphenyl]-oxomethyl]amino]-4-nitrobenzoic acid IUPAC Name: 2-[[4-[4-[(2-carboxy-5-nitrophenyl)carbamoyl]phenyl]sulfonylbenzoyl]amino]-4-nitrobenzoic acid Traditional Name: 2-[[4-[4-[(2-carboxy-5-nitro-phenyl)carbamoyl]phenyl]sulfonylbenzoyl]amino]-4-nitro-benzoic acid Formula: C28H18N4O12S MolecularWeight: 634.52712

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])C(=O)O)S(=O)(=O)C3=CC=C(C=C3)C(=O)NC4=C(C=CC(=C4)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1=CC(=CC=C1C(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])C(=O)O)S(=O)(=O)C3=CC=C(C=C3)C(=O)NC4=C(C=CC(=C4)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C28H18N4O12S/c33-25(29-23-13-17(31(39)40)5-11-21(23)27(35)36)15-1-7-19(8-2-15)45(43,44)20-9-3-16(4-10-20)26(34)30-24-14-18(32(41)42)6-12-22(24)28(37)38/h1-14H,(H,29,33)(H,30,34)(H,35,36)(H,37,38)