[4-oxidanylidene-4-[[2-oxidanyl-1-phenoxy-3-(propan-2-ylamino)propyl]amino]butyl] nitrate

Systemtic Name: [4-oxidanylidene-4-[[2-oxidanyl-1-phenoxy-3-(propan-2-ylamino)propyl]amino]butyl] nitrate Openeye Name: [4-[[2-hydroxy-3-(isopropylamino)-1-phenoxy-propyl]amino]-4-oxo-butyl] nitrate CAS Name: nitric acid [4-[[2-hydroxy-1-phenoxy-3-(propan-2-ylamino)propyl]amino]-4-oxobutyl] ester IUPAC Name: [4-[[2-hydroxy-1-phenoxy-3-(propan-2-ylamino)propyl]amino]-4-oxobutyl] nitrate Traditional Name: nitric acid [4-[[2-hydroxy-3-(isopropylamino)-1-phenoxy-propyl]amino]-4-keto-butyl] ester Formula: C16H25N3O6 MolecularWeight: 355.3862

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NCC(C(NC(=O)CCCO[N+](=O)[O-])OC1=CC=CC=C1)O

Isomeric SMILES

CC(C)NCC(C(NC(=O)CCCO[N+](=O)[O-])OC1=CC=CC=C1)O

InChI

InChI=1S/C16H25N3O6/c1-12(2)17-11-14(20)16(25-13-7-4-3-5-8-13)18-15(21)9-6-10-24-19(22)23/h3-5,7-8,12,14,16-17,20H,6,9-11H2,1-2H3,(H,18,21)