[5-(diethylamino)-2-(2-nitrooxyethylcarbamoyl)phenyl] ethanoate

Systemtic Name: [5-(diethylamino)-2-(2-nitrooxyethylcarbamoyl)phenyl] ethanoate Openeye Name: [5-(diethylamino)-2-(2-nitrooxyethylcarbamoyl)phenyl] acetate CAS Name: acetic acid [5-(diethylamino)-2-[(2-nitrooxyethylamino)-oxomethyl]phenyl] ester IUPAC Name: [5-(diethylamino)-2-(2-nitrooxyethylcarbamoyl)phenyl] acetate Traditional Name: acetic acid [5-(diethylamino)-2-(2-nitrooxyethylcarbamoyl)phenyl] ester Formula: C15H21N3O6 MolecularWeight: 339.34374

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC(=C(C=C1)C(=O)NCCO[N+](=O)[O-])OC(=O)C

Isomeric SMILES

CCN(CC)C1=CC(=C(C=C1)C(=O)NCCO[N+](=O)[O-])OC(=O)C

InChI

InChI=1S/C15H21N3O6/c1-4-17(5-2)12-6-7-13(14(10-12)24-11(3)19)15(20)16-8-9-23-18(21)22/h6-7,10H,4-5,8-9H2,1-3H3,(H,16,20)