[6-acetyloxy-1-ethanoyl-3-(4-nitrophenyl)-5-undecyl-4,1,2-benzoxadiazin-7-yl] ethanoate

Systemtic Name: [6-acetyloxy-1-ethanoyl-3-(4-nitrophenyl)-5-undecyl-4,1,2-benzoxadiazin-7-yl] ethanoate Openeye Name: [6-acetoxy-1-acetyl-3-(4-nitrophenyl)-5-undecyl-4,1,2-benzoxadiazin-7-yl] acetate CAS Name: acetic acid [1-acetyl-6-acetyloxy-3-(4-nitrophenyl)-5-undecyl-4,1,2-benzoxadiazin-7-yl] ester IUPAC Name: [1-acetyl-6-acetyloxy-3-(4-nitrophenyl)-5-undecyl-4,1,2-benzoxadiazin-7-yl] acetate Traditional Name: acetic acid [6-acetoxy-1-acetyl-3-(4-nitrophenyl)-5-undecyl-4,1,2-benzoxadiazin-7-yl] ester Formula: C30H37N3O8 MolecularWeight: 567.63008

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC1=C2C(=CC(=C1OC(=O)C)OC(=O)C)N(N=C(O2)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)C

Isomeric SMILES

CCCCCCCCCCCC1=C2C(=CC(=C1OC(=O)C)OC(=O)C)N(N=C(O2)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)C

InChI

InChI=1S/C30H37N3O8/c1-5-6-7-8-9-10-11-12-13-14-25-28-26(19-27(39-21(3)35)29(25)40-22(4)36)32(20(2)34)31-30(41-28)23-15-17-24(18-16-23)33(37)38/h15-19H,5-14H2,1-4H3