2-(2-carboxy-4-nitro-phenyl)-5-nitro-benzoic acid; 3-piperidin-2-ylpyridine

Systemtic Name: 2-(2-carboxy-4-nitro-phenyl)-5-nitro-benzoic acid; 3-piperidin-2-ylpyridine Openeye Name: 2-(2-carboxy-4-nitro-phenyl)-5-nitro-benzoic acid; 3-(2-piperidyl)pyridine CAS Name: 2-(2-carboxy-4-nitrophenyl)-5-nitrobenzoic acid; 3-(2-piperidinyl)pyridine IUPAC Name: 2-(2-carboxy-4-nitrophenyl)-5-nitrobenzoic acid; 3-piperidin-2-ylpyridine Traditional Name: anabasine; 2-(2-carboxy-4-nitro-phenyl)-5-nitro-benzoic acid Formula: C24H22N4O8 MolecularWeight: 494.45348

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(C1)C2=CN=CC=C2.C1=CC(=C(C=C1[N+](=O)[O-])C(=O)O)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1CCNC(C1)C2=CN=CC=C2.C1=CC(=C(C=C1[N+](=O)[O-])C(=O)O)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C14H8N2O8.C10H14N2/c17-13(18)11-5-7(15(21)22)1-3-9(11)10-4-2-8(16(23)24)6-12(10)14(19)20;1-2-7-12-10(5-1)9-4-3-6-11-8-9/h1-6H,(H,17,18)(H,19,20);3-4,6,8,10,12H,1-2,5,7H2