[4-(2-nitrooxypropylcarbamoyl)phenyl] propanoate

Systemtic Name: [4-(2-nitrooxypropylcarbamoyl)phenyl] propanoate Openeye Name: [4-(2-nitrooxypropylcarbamoyl)phenyl] propanoate CAS Name: propanoic acid [4-[(2-nitrooxypropylamino)-oxomethyl]phenyl] ester IUPAC Name: [4-(2-nitrooxypropylcarbamoyl)phenyl] propanoate Traditional Name: propionic acid [4-(2-nitrooxypropylcarbamoyl)phenyl] ester Formula: C13H16N2O6 MolecularWeight: 296.27594

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OC1=CC=C(C=C1)C(=O)NCC(C)O[N+](=O)[O-]

Isomeric SMILES

CCC(=O)OC1=CC=C(C=C1)C(=O)NCC(C)O[N+](=O)[O-]

InChI

InChI=1S/C13H16N2O6/c1-3-12(16)20-11-6-4-10(5-7-11)13(17)14-8-9(2)21-15(18)19/h4-7,9H,3,8H2,1-2H3,(H,14,17)