[4-[1-(propan-2-ylamino)propoxy]phenyl] 4-nitrooxy-4-oxidanyl-butanoate

Systemtic Name: [4-[1-(propan-2-ylamino)propoxy]phenyl] 4-nitrooxy-4-oxidanyl-butanoate Openeye Name: [4-[1-(isopropylamino)propoxy]phenyl] 4-hydroxy-4-nitrooxy-butanoate CAS Name: 4-hydroxy-4-nitrooxybutanoic acid [4-[1-(propan-2-ylamino)propoxy]phenyl] ester IUPAC Name: [4-[1-(propan-2-ylamino)propoxy]phenyl] 4-hydroxy-4-nitrooxybutanoate Traditional Name: 4-hydroxy-4-nitrooxy-butyric acid [4-[1-(isopropylamino)propoxy]phenyl] ester Formula: C16H24N2O7 MolecularWeight: 356.37096

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H24N2O7/c1-4-14(17-11(2)3)23-12-5-7-13(8-6-12)24-15(19)9-10-16(20)25-18(21)22/h5-8,11,14,16-17,20H,4,9-10H2,1-3H3