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

Systemtic Name: [1-(1H-indol-4-yloxy)-3-(propan-2-ylamino)propan-2-yl] 4-nitrooxybutanoate Openeye Name: [1-(1H-indol-4-yloxymethyl)-2-(isopropylamino)ethyl] 4-nitrooxybutanoate CAS Name: 4-nitrooxybutanoic acid [1-(1H-indol-4-yloxy)-3-(propan-2-ylamino)propan-2-yl] ester IUPAC Name: [1-(1H-indol-4-yloxy)-3-(propan-2-ylamino)propan-2-yl] 4-nitrooxybutanoate Traditional Name: 4-nitrooxybutyric acid [1-(1H-indol-4-yloxymethyl)-2-(isopropylamino)ethyl] ester Formula: C18H25N3O6 MolecularWeight: 379.4076

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NCC(COC1=CC=CC2=C1C=CN2)OC(=O)CCCO[N+](=O)[O-]

Isomeric SMILES

CC(C)NCC(COC1=CC=CC2=C1C=CN2)OC(=O)CCCO[N+](=O)[O-]

InChI

InChI=1S/C18H25N3O6/c1-13(2)20-11-14(27-18(22)7-4-10-26-21(23)24)12-25-17-6-3-5-16-15(17)8-9-19-16/h3,5-6,8-9,13-14,19-20H,4,7,10-12H2,1-2H3