2-[2-[(2-carboxy-4-nitro-phenyl)amino]ethylamino]-5-nitro-benzoic acid

Systemtic Name: 2-[2-[(2-carboxy-4-nitro-phenyl)amino]ethylamino]-5-nitro-benzoic acid Openeye Name: 2-[2-(2-carboxy-4-nitro-anilino)ethylamino]-5-nitro-benzoic acid CAS Name: 2-[2-(2-carboxy-4-nitroanilino)ethylamino]-5-nitrobenzoic acid IUPAC Name: 2-[2-(2-carboxy-4-nitroanilino)ethylamino]-5-nitrobenzoic acid Traditional Name: 2-[2-(2-carboxy-4-nitro-anilino)ethylamino]-5-nitro-benzoic acid Formula: C16H14N4O8 MolecularWeight: 390.30436

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1[N+](=O)[O-])C(=O)O)NCCNC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1=CC(=C(C=C1[N+](=O)[O-])C(=O)O)NCCNC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C16H14N4O8/c21-15(22)11-7-9(19(25)26)1-3-13(11)17-5-6-18-14-4-2-10(20(27)28)8-12(14)16(23)24/h1-4,7-8,17-18H,5-6H2,(H,21,22)(H,23,24)