[(4S,6S)-6-azido-9,9-dimethoxy-1-oxidanylidene-nonan-4-yl] 2-(4-nitrophenyl)ethanoate

Systemtic Name: [(4S,6S)-6-azido-9,9-dimethoxy-1-oxidanylidene-nonan-4-yl] 2-(4-nitrophenyl)ethanoate Openeye Name: [(1S,3S)-3-azido-6,6-dimethoxy-1-(3-oxopropyl)hexyl] 2-(4-nitrophenyl)acetate CAS Name: 2-(4-nitrophenyl)acetic acid [(4S,6S)-6-azido-9,9-dimethoxy-1-oxononan-4-yl] ester IUPAC Name: [(4S,6S)-6-azido-9,9-dimethoxy-1-oxononan-4-yl] 2-(4-nitrophenyl)acetate Traditional Name: 2-(4-nitrophenyl)acetic acid [(1S,3S)-3-azido-1-(3-ketopropyl)-6,6-dimethoxy-hexyl] ester Formula: C19H26N4O7 MolecularWeight: 422.43234

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Descriptors Computed from Structure

Canonical SMILES:

COC(CCC(CC(CCC=O)OC(=O)CC1=CC=C(C=C1)[N+](=O)[O-])N=[N+]=[N-])OC

Isomeric SMILES

COC(CC[C@@H](C[C@H](CCC=O)OC(=O)CC1=CC=C(C=C1)[N+](=O)[O-])N=[N+]=[N-])OC

InChI

InChI=1S/C19H26N4O7/c1-28-19(29-2)10-7-15(21-22-20)13-17(4-3-11-24)30-18(25)12-14-5-8-16(9-6-14)23(26)27/h5-6,8-9,11,15,17,19H,3-4,7,10,12-13H2,1-2H3/t15-,17-/m0/s1