ethanedioic acid; 5-[2-(4-nitrophenyl)ethyl-propyl-amino]pentanamide

Systemtic Name: ethanedioic acid; 5-[2-(4-nitrophenyl)ethyl-propyl-amino]pentanamide Openeye Name: 5-[2-(4-nitrophenyl)ethyl-propyl-amino]pentanamide; oxalic acid CAS Name: 5-[2-(4-nitrophenyl)ethyl-propylamino]pentanamide; oxalic acid IUPAC Name: 5-[2-(4-nitrophenyl)ethyl-propylamino]pentanamide; oxalic acid Traditional Name: 5-[2-(4-nitrophenyl)ethyl-propyl-amino]valeramide; oxalic acid Formula: C18H27N3O7 MolecularWeight: 397.42288

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCCCC(=O)N)CCC1=CC=C(C=C1)[N+](=O)[O-].C(=O)(C(=O)O)O

Isomeric SMILES

CCCN(CCCCC(=O)N)CCC1=CC=C(C=C1)[N+](=O)[O-].C(=O)(C(=O)O)O

InChI

InChI=1S/C16H25N3O3.C2H2O4/c1-2-11-18(12-4-3-5-16(17)20)13-10-14-6-8-15(9-7-14)19(21)22;3-1(4)2(5)6/h6-9H,2-5,10-13H2,1H3,(H2,17,20);(H,3,4)(H,5,6)