3-nitro-2-[(5-nitro-2-oxidanyl-phenyl)carbamoyl]benzoic acid

Systemtic Name: 3-nitro-2-[(5-nitro-2-oxidanyl-phenyl)carbamoyl]benzoic acid Openeye Name: 2-[(2-hydroxy-5-nitro-phenyl)carbamoyl]-3-nitro-benzoic acid CAS Name: 2-[(2-hydroxy-5-nitroanilino)-oxomethyl]-3-nitrobenzoic acid IUPAC Name: 2-[(2-hydroxy-5-nitrophenyl)carbamoyl]-3-nitrobenzoic acid Traditional Name: 2-[(2-hydroxy-5-nitro-phenyl)carbamoyl]-3-nitro-benzoic acid Formula: C14H9N3O8 MolecularWeight: 347.23656

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H9N3O8/c18-11-5-4-7(16(22)23)6-9(11)15-13(19)12-8(14(20)21)2-1-3-10(12)17(24)25/h1-6,18H,(H,15,19)(H,20,21)