5-azanyl-2-(2-carboxy-4,6-dinitro-phenyl)-3-nitro-benzoic acid

Systemtic Name: 5-azanyl-2-(2-carboxy-4,6-dinitro-phenyl)-3-nitro-benzoic acid Openeye Name: 5-amino-2-(2-carboxy-4,6-dinitro-phenyl)-3-nitro-benzoic acid CAS Name: 5-amino-2-(2-carboxy-4,6-dinitrophenyl)-3-nitrobenzoic acid IUPAC Name: 5-amino-2-(2-carboxy-4,6-dinitrophenyl)-3-nitrobenzoic acid Traditional Name: 5-amino-2-(2-carboxy-4,6-dinitro-phenyl)-3-nitro-benzoic acid Formula: C14H8N4O10 MolecularWeight: 392.23412

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C(=C1[N+](=O)[O-])C2=C(C=C(C=C2C(=O)O)[N+](=O)[O-])[N+](=O)[O-])C(=O)O)N

Isomeric SMILES

C1=C(C=C(C(=C1[N+](=O)[O-])C2=C(C=C(C=C2C(=O)O)[N+](=O)[O-])[N+](=O)[O-])C(=O)O)N

InChI

InChI=1S/C14H8N4O10/c15-5-1-7(13(19)20)11(9(2-5)17(25)26)12-8(14(21)22)3-6(16(23)24)4-10(12)18(27)28/h1-4H,15H2,(H,19,20)(H,21,22)