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

Systemtic Name: [1-(1H-indol-4-yloxy)-3-(propan-2-ylamino)propan-2-yl] 4-(nitrooxymethyl)benzoate Openeye Name: [1-(1H-indol-4-yloxymethyl)-2-(isopropylamino)ethyl] 4-(nitrooxymethyl)benzoate CAS Name: 4-(nitrooxymethyl)benzoic 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-(nitrooxymethyl)benzoate Traditional Name: 4-(nitrooxymethyl)benzoic acid [1-(1H-indol-4-yloxymethyl)-2-(isopropylamino)ethyl] ester Formula: C22H25N3O6 MolecularWeight: 427.4504

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NCC(COC1=CC=CC2=C1C=CN2)OC(=O)C3=CC=C(C=C3)CO[N+](=O)[O-]

Isomeric SMILES

CC(C)NCC(COC1=CC=CC2=C1C=CN2)OC(=O)C3=CC=C(C=C3)CO[N+](=O)[O-]

InChI

InChI=1S/C22H25N3O6/c1-15(2)24-12-18(14-29-21-5-3-4-20-19(21)10-11-23-20)31-22(26)17-8-6-16(7-9-17)13-30-25(27)28/h3-11,15,18,23-24H,12-14H2,1-2H3