[2-(2-nitrooxyethylcarbamoyl)phenyl] pentanoate

Systemtic Name: [2-(2-nitrooxyethylcarbamoyl)phenyl] pentanoate Openeye Name: [2-(2-nitrooxyethylcarbamoyl)phenyl] pentanoate CAS Name: pentanoic acid [2-[(2-nitrooxyethylamino)-oxomethyl]phenyl] ester IUPAC Name: [2-(2-nitrooxyethylcarbamoyl)phenyl] pentanoate Traditional Name: valeric acid [2-(2-nitrooxyethylcarbamoyl)phenyl] ester Formula: C14H18N2O6 MolecularWeight: 310.30252

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)OC1=CC=CC=C1C(=O)NCCO[N+](=O)[O-]

Isomeric SMILES

CCCCC(=O)OC1=CC=CC=C1C(=O)NCCO[N+](=O)[O-]

InChI

InChI=1S/C14H18N2O6/c1-2-3-8-13(17)22-12-7-5-4-6-11(12)14(18)15-9-10-21-16(19)20/h4-7H,2-3,8-10H2,1H3,(H,15,18)