ethanedioic acid; 1-[3-(4-nitrophenoxy)propyl]azepane

Systemtic Name: ethanedioic acid; 1-[3-(4-nitrophenoxy)propyl]azepane Openeye Name: 1-[3-(4-nitrophenoxy)propyl]azepane; oxalic acid CAS Name: 1-[3-(4-nitrophenoxy)propyl]azepane; oxalic acid IUPAC Name: 1-[3-(4-nitrophenoxy)propyl]azepane; oxalic acid Traditional Name: 1-[3-(4-nitrophenoxy)propyl]azepane; oxalic acid Formula: C17H24N2O7 MolecularWeight: 368.38166

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CCCOC2=CC=C(C=C2)[N+](=O)[O-].C(=O)(C(=O)O)O

Isomeric SMILES

C1CCCN(CC1)CCCOC2=CC=C(C=C2)[N+](=O)[O-].C(=O)(C(=O)O)O

InChI

InChI=1S/C15H22N2O3.C2H2O4/c18-17(19)14-6-8-15(9-7-14)20-13-5-12-16-10-3-1-2-4-11-16;3-1(4)2(5)6/h6-9H,1-5,10-13H2;(H,3,4)(H,5,6)