(5-nitro-2-undecoxy-phenyl) oxirane-2-carboxylate

Systemtic Name: (5-nitro-2-undecoxy-phenyl) oxirane-2-carboxylate Openeye Name: (5-nitro-2-undecoxy-phenyl) oxirane-2-carboxylate CAS Name: 2-oxiranecarboxylic acid (5-nitro-2-undecoxyphenyl) ester IUPAC Name: (5-nitro-2-undecoxyphenyl) oxirane-2-carboxylate Traditional Name: oxirane-2-carboxylic acid (5-nitro-2-undecoxy-phenyl) ester Formula: C20H29NO6 MolecularWeight: 379.44736

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCOC1=C(C=C(C=C1)[N+](=O)[O-])OC(=O)C2CO2

Isomeric SMILES

CCCCCCCCCCCOC1=C(C=C(C=C1)[N+](=O)[O-])OC(=O)C2CO2

InChI

InChI=1S/C20H29NO6/c1-2-3-4-5-6-7-8-9-10-13-25-17-12-11-16(21(23)24)14-18(17)27-20(22)19-15-26-19/h11-12,14,19H,2-10,13,15H2,1H3