[4-[2-[[3-methyl-2-oxidanyl-3-(2-prop-2-ynoxyphenoxy)butan-2-yl]amino]ethylamino]-4-oxidanylidene-butyl] nitrate

Systemtic Name: [4-[2-[[3-methyl-2-oxidanyl-3-(2-prop-2-ynoxyphenoxy)butan-2-yl]amino]ethylamino]-4-oxidanylidene-butyl] nitrate Openeye Name: [4-[2-[[1-hydroxy-1,2-dimethyl-2-(2-prop-2-ynoxyphenoxy)propyl]amino]ethylamino]-4-oxo-butyl] nitrate CAS Name: nitric acid [4-[2-[[2-hydroxy-3-methyl-3-(2-prop-2-ynoxyphenoxy)butan-2-yl]amino]ethylamino]-4-oxobutyl] ester IUPAC Name: [4-[2-[[2-hydroxy-3-methyl-3-(2-prop-2-ynoxyphenoxy)butan-2-yl]amino]ethylamino]-4-oxobutyl] nitrate Traditional Name: nitric acid [4-[2-[[1-hydroxy-1,2-dimethyl-2-(2-propargyloxyphenoxy)propyl]amino]ethylamino]-4-keto-butyl] ester Formula: C20H29N3O7 MolecularWeight: 423.46016

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(C)(NCCNC(=O)CCCO[N+](=O)[O-])O)OC1=CC=CC=C1OCC#C

Isomeric SMILES

CC(C)(C(C)(NCCNC(=O)CCCO[N+](=O)[O-])O)OC1=CC=CC=C1OCC#C

InChI

InChI=1S/C20H29N3O7/c1-5-14-28-16-9-6-7-10-17(16)30-19(2,3)20(4,25)22-13-12-21-18(24)11-8-15-29-23(26)27/h1,6-7,9-10,22,25H,8,11-15H2,2-4H3,(H,21,24)