ethanedioic acid; 1-[2-(4-nitrophenoxy)ethyl]azepane

Systemtic Name: ethanedioic acid; 1-[2-(4-nitrophenoxy)ethyl]azepane Openeye Name: 1-[2-(4-nitrophenoxy)ethyl]azepane; oxalic acid CAS Name: 1-[2-(4-nitrophenoxy)ethyl]azepane; oxalic acid IUPAC Name: 1-[2-(4-nitrophenoxy)ethyl]azepane; oxalic acid Traditional Name: 1-[2-(4-nitrophenoxy)ethyl]azepane; oxalic acid Formula: C16H22N2O7 MolecularWeight: 354.35508

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CCOC2=CC=C(C=C2)[N+](=O)[O-].C(=O)(C(=O)O)O

Isomeric SMILES

C1CCCN(CC1)CCOC2=CC=C(C=C2)[N+](=O)[O-].C(=O)(C(=O)O)O

InChI

InChI=1S/C14H20N2O3.C2H2O4/c17-16(18)13-5-7-14(8-6-13)19-12-11-15-9-3-1-2-4-10-15;3-1(4)2(5)6/h5-8H,1-4,9-12H2;(H,3,4)(H,5,6)