2-[(2-carboxy-4-nitro-phenyl)methyl]-5-nitro-benzoic acid; 3-[(2S)-piperidin-2-yl]pyridine

Systemtic Name: 2-[(2-carboxy-4-nitro-phenyl)methyl]-5-nitro-benzoic acid; 3-[(2S)-piperidin-2-yl]pyridine Openeye Name: 2-[(2-carboxy-4-nitro-phenyl)methyl]-5-nitro-benzoic acid; 3-[(2S)-2-piperidyl]pyridine CAS Name: 2-[(2-carboxy-4-nitrophenyl)methyl]-5-nitrobenzoic acid; 3-[(2S)-2-piperidinyl]pyridine IUPAC Name: 2-[(2-carboxy-4-nitrophenyl)methyl]-5-nitrobenzoic acid; 3-[(2S)-piperidin-2-yl]pyridine Traditional Name: 2-(2-carboxy-4-nitro-benzyl)-5-nitro-benzoic acid; 3-[(2S)-2-piperidyl]pyridine Formula: C25H24N4O8 MolecularWeight: 508.48006

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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)CC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1CCN[C@@H](C1)C2=CN=CC=C2.C1=CC(=C(C=C1[N+](=O)[O-])C(=O)O)CC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C15H10N2O8.C10H14N2/c18-14(19)12-6-10(16(22)23)3-1-8(12)5-9-2-4-11(17(24)25)7-13(9)15(20)21;1-2-7-12-10(5-1)9-4-3-6-11-8-9/h1-4,6-7H,5H2,(H,18,19)(H,20,21);3-4,6,8,10,12H,1-2,5,7H2/t;10-/m.0/s1