[5-methoxy-2-(2-nitrooxyhexylcarbamoyl)phenyl] ethanoate

Systemtic Name: [5-methoxy-2-(2-nitrooxyhexylcarbamoyl)phenyl] ethanoate Openeye Name: [5-methoxy-2-(2-nitrooxyhexylcarbamoyl)phenyl] acetate CAS Name: acetic acid [5-methoxy-2-[(2-nitrooxyhexylamino)-oxomethyl]phenyl] ester IUPAC Name: [5-methoxy-2-(2-nitrooxyhexylcarbamoyl)phenyl] acetate Traditional Name: acetic acid [5-methoxy-2-(2-nitrooxyhexylcarbamoyl)phenyl] ester Formula: C16H22N2O7 MolecularWeight: 354.35508

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CNC(=O)C1=C(C=C(C=C1)OC)OC(=O)C)O[N+](=O)[O-]

Isomeric SMILES

CCCCC(CNC(=O)C1=C(C=C(C=C1)OC)OC(=O)C)O[N+](=O)[O-]

InChI

InChI=1S/C16H22N2O7/c1-4-5-6-13(25-18(21)22)10-17-16(20)14-8-7-12(23-3)9-15(14)24-11(2)19/h7-9,13H,4-6,10H2,1-3H3,(H,17,20)