4-azanylbenzoic acid; 4-chloranyl-3,5-dinitro-benzoic acid

Systemtic Name: 4-azanylbenzoic acid; 4-chloranyl-3,5-dinitro-benzoic acid Openeye Name: 4-aminobenzoic acid; 4-chloro-3,5-dinitro-benzoic acid CAS Name: 4-aminobenzoic acid; 4-chloro-3,5-dinitrobenzoic acid IUPAC Name: 4-aminobenzoic acid; 4-chloro-3,5-dinitrobenzoic acid Traditional Name: 4-aminobenzoic acid; 4-chloro-3,5-dinitro-benzoic acid Formula: C14H10ClN3O8 MolecularWeight: 383.6975

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)O)N.C1=C(C=C(C(=C1[N+](=O)[O-])Cl)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1=CC(=CC=C1C(=O)O)N.C1=C(C=C(C(=C1[N+](=O)[O-])Cl)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C7H3ClN2O6.C7H7NO2/c8-6-4(9(13)14)1-3(7(11)12)2-5(6)10(15)16;8-6-3-1-5(2-4-6)7(9)10/h1-2H,(H,11,12);1-4H,8H2,(H,9,10)