4-[[4-[(4-carboxy-2-nitro-phenyl)carbamoyl]phenyl]carbonylamino]-3-nitro-benzoic acid

Systemtic Name: 4-[[4-[(4-carboxy-2-nitro-phenyl)carbamoyl]phenyl]carbonylamino]-3-nitro-benzoic acid Openeye Name: 4-[[4-[(4-carboxy-2-nitro-phenyl)carbamoyl]benzoyl]amino]-3-nitro-benzoic acid CAS Name: 4-[[[4-[(4-carboxy-2-nitroanilino)-oxomethyl]phenyl]-oxomethyl]amino]-3-nitrobenzoic acid IUPAC Name: 4-[[4-[(4-carboxy-2-nitrophenyl)carbamoyl]benzoyl]amino]-3-nitrobenzoic acid Traditional Name: 4-[[4-[(4-carboxy-2-nitro-phenyl)carbamoyl]benzoyl]amino]-3-nitro-benzoic acid Formula: C22H14N4O10 MolecularWeight: 494.36736

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)NC2=C(C=C(C=C2)C(=O)O)[N+](=O)[O-])C(=O)NC3=C(C=C(C=C3)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C(=O)NC2=C(C=C(C=C2)C(=O)O)[N+](=O)[O-])C(=O)NC3=C(C=C(C=C3)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C22H14N4O10/c27-19(23-15-7-5-13(21(29)30)9-17(15)25(33)34)11-1-2-12(4-3-11)20(28)24-16-8-6-14(22(31)32)10-18(16)26(35)36/h1-10H,(H,23,27)(H,24,28)(H,29,30)(H,31,32)