2-[4-(2-carboxy-6-nitro-phenyl)piperazin-1-yl]-3-nitro-benzoic acid

Systemtic Name: 2-[4-(2-carboxy-6-nitro-phenyl)piperazin-1-yl]-3-nitro-benzoic acid Openeye Name: 2-[4-(2-carboxy-6-nitro-phenyl)piperazin-1-yl]-3-nitro-benzoic acid CAS Name: 2-[4-(2-carboxy-6-nitrophenyl)-1-piperazinyl]-3-nitrobenzoic acid IUPAC Name: 2-[4-(2-carboxy-6-nitrophenyl)piperazin-1-yl]-3-nitrobenzoic acid Traditional Name: 2-[4-(2-carboxy-6-nitro-phenyl)piperazino]-3-nitro-benzoic acid Formula: C18H16N4O8 MolecularWeight: 416.34164

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=CC=C2[N+](=O)[O-])C(=O)O)C3=C(C=CC=C3[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1CN(CCN1C2=C(C=CC=C2[N+](=O)[O-])C(=O)O)C3=C(C=CC=C3[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C18H16N4O8/c23-17(24)11-3-1-5-13(21(27)28)15(11)19-7-9-20(10-8-19)16-12(18(25)26)4-2-6-14(16)22(29)30/h1-6H,7-10H2,(H,23,24)(H,25,26)