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

Systemtic Name: 3-[(3-carboxy-5-nitro-2-oxidanyl-phenyl)methyl]-5-nitro-2-oxidanyl-benzoic acid Openeye Name: 3-[(3-carboxy-2-hydroxy-5-nitro-phenyl)methyl]-2-hydroxy-5-nitro-benzoic acid CAS Name: 3-[(3-carboxy-2-hydroxy-5-nitrophenyl)methyl]-2-hydroxy-5-nitrobenzoic acid IUPAC Name: 3-[(3-carboxy-2-hydroxy-5-nitrophenyl)methyl]-2-hydroxy-5-nitrobenzoic acid Traditional Name: 3-(3-carboxy-2-hydroxy-5-nitro-benzyl)-2-hydroxy-5-nitro-benzoic acid Formula: C15H10N2O10 MolecularWeight: 378.2473

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C(=C1CC2=C(C(=CC(=C2)[N+](=O)[O-])C(=O)O)O)O)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=C(C=C(C(=C1CC2=C(C(=CC(=C2)[N+](=O)[O-])C(=O)O)O)O)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C15H10N2O10/c18-12-6(2-8(16(24)25)4-10(12)14(20)21)1-7-3-9(17(26)27)5-11(13(7)19)15(22)23/h2-5,18-19H,1H2,(H,20,21)(H,22,23)