4-[(4-hydroxyphenyl)amino]-3,5-dinitro-benzoic acid

Systemtic Name: 4-[(4-hydroxyphenyl)amino]-3,5-dinitro-benzoic acid Openeye Name: 4-(4-hydroxyanilino)-3,5-dinitro-benzoic acid CAS Name: 4-(4-hydroxyanilino)-3,5-dinitrobenzoic acid IUPAC Name: 4-(4-hydroxyanilino)-3,5-dinitrobenzoic acid Traditional Name: 4-(4-hydroxyanilino)-3,5-dinitro-benzoic acid Formula: C13H9N3O7 MolecularWeight: 319.22646

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H9N3O7/c17-9-3-1-8(2-4-9)14-12-10(15(20)21)5-7(13(18)19)6-11(12)16(22)23/h1-6,14,17H,(H,18,19)