[1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-yl] 4-nitrooxybutanoate

Systemtic Name: [1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-yl] 4-nitrooxybutanoate Openeye Name: [1-[(isopropylamino)methyl]-2-(1-naphthyloxy)ethyl] 4-nitrooxybutanoate CAS Name: 4-nitrooxybutanoic acid [1-(1-naphthalenyloxy)-3-(propan-2-ylamino)propan-2-yl] ester IUPAC Name: [1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-yl] 4-nitrooxybutanoate Traditional Name: 4-nitrooxybutyric acid [1-[(isopropylamino)methyl]-2-(1-naphthoxy)ethyl] ester Formula: C20H26N2O6 MolecularWeight: 390.43024

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NCC(COC1=CC=CC2=CC=CC=C21)OC(=O)CCCO[N+](=O)[O-]

Isomeric SMILES

CC(C)NCC(COC1=CC=CC2=CC=CC=C21)OC(=O)CCCO[N+](=O)[O-]

InChI

InChI=1S/C20H26N2O6/c1-15(2)21-13-17(28-20(23)11-6-12-27-22(24)25)14-26-19-10-5-8-16-7-3-4-9-18(16)19/h3-5,7-10,15,17,21H,6,11-14H2,1-2H3