4-[(3-carboxy-4-oxidanyl-phenyl)amino]-3,5-dinitro-benzoic acid

Systemtic Name: 4-[(3-carboxy-4-oxidanyl-phenyl)amino]-3,5-dinitro-benzoic acid Openeye Name: 4-(3-carboxy-4-hydroxy-anilino)-3,5-dinitro-benzoic acid CAS Name: 4-(3-carboxy-4-hydroxyanilino)-3,5-dinitrobenzoic acid IUPAC Name: 4-(3-carboxy-4-hydroxyanilino)-3,5-dinitrobenzoic acid Traditional Name: 4-(3-carboxy-4-hydroxy-anilino)-3,5-dinitro-benzoic acid Formula: C14H9N3O9 MolecularWeight: 363.23596

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1NC2=C(C=C(C=C2[N+](=O)[O-])C(=O)O)[N+](=O)[O-])C(=O)O)O

Isomeric SMILES

C1=CC(=C(C=C1NC2=C(C=C(C=C2[N+](=O)[O-])C(=O)O)[N+](=O)[O-])C(=O)O)O

InChI

InChI=1S/C14H9N3O9/c18-11-2-1-7(5-8(11)14(21)22)15-12-9(16(23)24)3-6(13(19)20)4-10(12)17(25)26/h1-5,15,18H,(H,19,20)(H,21,22)