ethanedioic acid; [1-[(2-nitrophenyl)methyl]piperidin-3-yl]-piperidin-1-yl-methanone

Systemtic Name: ethanedioic acid; [1-[(2-nitrophenyl)methyl]piperidin-3-yl]-piperidin-1-yl-methanone Openeye Name: [1-[(2-nitrophenyl)methyl]-3-piperidyl]-(1-piperidyl)methanone; oxalic acid CAS Name: [1-[(2-nitrophenyl)methyl]-3-piperidinyl]-(1-piperidinyl)methanone; oxalic acid IUPAC Name: [1-[(2-nitrophenyl)methyl]piperidin-3-yl]-piperidin-1-ylmethanone; oxalic acid Traditional Name: [1-(2-nitrobenzyl)-3-piperidyl]-piperidino-methanone; oxalic acid Formula: C20H27N3O7 MolecularWeight: 421.44428

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C2CCCN(C2)CC3=CC=CC=C3[N+](=O)[O-].C(=O)(C(=O)O)O

Isomeric SMILES

C1CCN(CC1)C(=O)C2CCCN(C2)CC3=CC=CC=C3[N+](=O)[O-].C(=O)(C(=O)O)O

InChI

InChI=1S/C18H25N3O3.C2H2O4/c22-18(20-11-4-1-5-12-20)16-8-6-10-19(14-16)13-15-7-2-3-9-17(15)21(23)24;3-1(4)2(5)6/h2-3,7,9,16H,1,4-6,8,10-14H2;(H,3,4)(H,5,6)