[(6S,8S)-8-azido-11,11-dimethoxy-2-methyl-undec-2-en-6-yl] 2-(4-nitrophenyl)ethanoate

Systemtic Name: [(6S,8S)-8-azido-11,11-dimethoxy-2-methyl-undec-2-en-6-yl] 2-(4-nitrophenyl)ethanoate Openeye Name: [(1S)-1-[(2S)-2-azido-5,5-dimethoxy-pentyl]-5-methyl-hex-4-enyl] 2-(4-nitrophenyl)acetate CAS Name: 2-(4-nitrophenyl)acetic acid [(6S,8S)-8-azido-11,11-dimethoxy-2-methylundec-2-en-6-yl] ester IUPAC Name: [(6S,8S)-8-azido-11,11-dimethoxy-2-methylundec-2-en-6-yl] 2-(4-nitrophenyl)acetate Traditional Name: 2-(4-nitrophenyl)acetic acid [(1S)-1-[(2S)-2-azido-5,5-dimethoxy-pentyl]-5-methyl-hex-4-enyl] ester Formula: C22H32N4O6 MolecularWeight: 448.51268

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H32N4O6/c1-16(2)6-5-7-20(15-18(24-25-23)10-13-22(30-3)31-4)32-21(27)14-17-8-11-19(12-9-17)26(28)29/h6,8-9,11-12,18,20,22H,5,7,10,13-15H2,1-4H3/t18-,20-/m0/s1