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

Systemtic Name: 2-[[4-[(2-carboxy-5-nitro-phenyl)carbamoyl]phenyl]carbonylamino]-4-nitro-benzoic acid Openeye Name: 2-[[4-[(2-carboxy-5-nitro-phenyl)carbamoyl]benzoyl]amino]-4-nitro-benzoic acid CAS Name: 2-[[[4-[(2-carboxy-5-nitroanilino)-oxomethyl]phenyl]-oxomethyl]amino]-4-nitrobenzoic acid IUPAC Name: 2-[[4-[(2-carboxy-5-nitrophenyl)carbamoyl]benzoyl]amino]-4-nitrobenzoic acid Traditional Name: 2-[[4-[(2-carboxy-5-nitro-phenyl)carbamoyl]benzoyl]amino]-4-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=CC(=C2)[N+](=O)[O-])C(=O)O)C(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])C(=O)O

Isomeric SMILES

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

InChI

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