2-[2-[(2-carboxy-4,6-dinitro-phenyl)amino]ethylamino]-3,5-dinitro-benzoic acid

Systemtic Name: 2-[2-[(2-carboxy-4,6-dinitro-phenyl)amino]ethylamino]-3,5-dinitro-benzoic acid Openeye Name: 2-[2-(2-carboxy-4,6-dinitro-anilino)ethylamino]-3,5-dinitro-benzoic acid CAS Name: 2-[2-(2-carboxy-4,6-dinitroanilino)ethylamino]-3,5-dinitrobenzoic acid IUPAC Name: 2-[2-(2-carboxy-4,6-dinitroanilino)ethylamino]-3,5-dinitrobenzoic acid Traditional Name: 2-[2-(2-carboxy-4,6-dinitro-anilino)ethylamino]-3,5-dinitro-benzoic acid Formula: C16H12N6O12 MolecularWeight: 480.29948

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C(=C1[N+](=O)[O-])NCCNC2=C(C=C(C=C2C(=O)O)[N+](=O)[O-])[N+](=O)[O-])C(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=C(C=C(C(=C1[N+](=O)[O-])NCCNC2=C(C=C(C=C2C(=O)O)[N+](=O)[O-])[N+](=O)[O-])C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C16H12N6O12/c23-15(24)9-3-7(19(27)28)5-11(21(31)32)13(9)17-1-2-18-14-10(16(25)26)4-8(20(29)30)6-12(14)22(33)34/h3-6,17-18H,1-2H2,(H,23,24)(H,25,26)