3-[(3-azanyl-2,4,6-trinitro-phenyl)amino]benzoic acid

Systemtic Name: 3-[(3-azanyl-2,4,6-trinitro-phenyl)amino]benzoic acid Openeye Name: 3-(3-amino-2,4,6-trinitro-anilino)benzoic acid CAS Name: 3-(3-amino-2,4,6-trinitroanilino)benzoic acid IUPAC Name: 3-(3-amino-2,4,6-trinitroanilino)benzoic acid Traditional Name: 3-(3-amino-2,4,6-trinitro-anilino)benzoic acid Formula: C13H9N5O8 MolecularWeight: 363.23926

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C13H9N5O8/c14-10-8(16(21)22)5-9(17(23)24)11(12(10)18(25)26)15-7-3-1-2-6(4-7)13(19)20/h1-5,15H,14H2,(H,19,20)