3-[(2,4,6-trinitrophenyl)amino]benzoic acid

Systemtic Name: 3-[(2,4,6-trinitrophenyl)amino]benzoic acid Openeye Name: 3-(2,4,6-trinitroanilino)benzoic acid CAS Name: 3-(2,4,6-trinitroanilino)benzoic acid IUPAC Name: 3-(2,4,6-trinitroanilino)benzoic acid Traditional Name: 3-(2,4,6-trinitroanilino)benzoic acid Formula: C13H8N4O8 MolecularWeight: 348.22462

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H8N4O8/c18-13(19)7-2-1-3-8(4-7)14-12-10(16(22)23)5-9(15(20)21)6-11(12)17(24)25/h1-6,14H,(H,18,19)