2-[4-[3-(4-nitrophenyl)propoxy]butyl]oxirane-2-carboxylic acid

Systemtic Name: 2-[4-[3-(4-nitrophenyl)propoxy]butyl]oxirane-2-carboxylic acid Openeye Name: 2-[4-[3-(4-nitrophenyl)propoxy]butyl]oxirane-2-carboxylic acid CAS Name: 2-[4-[3-(4-nitrophenyl)propoxy]butyl]-2-oxiranecarboxylic acid IUPAC Name: 2-[4-[3-(4-nitrophenyl)propoxy]butyl]oxirane-2-carboxylic acid Traditional Name: 2-[4-[3-(4-nitrophenyl)propoxy]butyl]oxirane-2-carboxylic acid Formula: C16H21NO6 MolecularWeight: 323.34104

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Descriptors Computed from Structure

Canonical SMILES:

C1C(O1)(CCCCOCCCC2=CC=C(C=C2)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1C(O1)(CCCCOCCCC2=CC=C(C=C2)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C16H21NO6/c18-15(19)16(12-23-16)9-1-2-10-22-11-3-4-13-5-7-14(8-6-13)17(20)21/h5-8H,1-4,9-12H2,(H,18,19)