ethanedioic acid; 4-[(5-nitropyridin-2-yl)-propyl-amino]-2-(piperidin-1-ylmethyl)phenol

Systemtic Name: ethanedioic acid; 4-[(5-nitropyridin-2-yl)-propyl-amino]-2-(piperidin-1-ylmethyl)phenol Openeye Name: 4-[(5-nitro-2-pyridyl)-propyl-amino]-2-(1-piperidylmethyl)phenol; oxalic acid CAS Name: 4-[(5-nitro-2-pyridinyl)-propylamino]-2-(1-piperidinylmethyl)phenol; oxalic acid IUPAC Name: 4-[(5-nitropyridin-2-yl)-propylamino]-2-(piperidin-1-ylmethyl)phenol; oxalic acid Traditional Name: 4-[(5-nitro-2-pyridyl)-propyl-amino]-2-(piperidinomethyl)phenol; oxalic acid Formula: C22H28N4O7 MolecularWeight: 460.48032

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(C1=CC(=C(C=C1)O)CN2CCCCC2)C3=NC=C(C=C3)[N+](=O)[O-].C(=O)(C(=O)O)O

Isomeric SMILES

CCCN(C1=CC(=C(C=C1)O)CN2CCCCC2)C3=NC=C(C=C3)[N+](=O)[O-].C(=O)(C(=O)O)O

InChI

InChI=1S/C20H26N4O3.C2H2O4/c1-2-10-23(20-9-7-18(14-21-20)24(26)27)17-6-8-19(25)16(13-17)15-22-11-4-3-5-12-22;3-1(4)2(5)6/h6-9,13-14,25H,2-5,10-12,15H2,1H3;(H,3,4)(H,5,6)