[5-bromanyl-2-methoxy-4-[(nonanoylamino)methyl]phenyl] (4,5-dimethoxy-2-nitro-phenyl)methyl carbonate

Systemtic Name: [5-bromanyl-2-methoxy-4-[(nonanoylamino)methyl]phenyl] (4,5-dimethoxy-2-nitro-phenyl)methyl carbonate Openeye Name: [5-bromo-2-methoxy-4-[(nonanoylamino)methyl]phenyl] (4,5-dimethoxy-2-nitro-phenyl)methyl carbonate CAS Name: carbonic acid [5-bromo-2-methoxy-4-[(1-oxononylamino)methyl]phenyl] (4,5-dimethoxy-2-nitrophenyl)methyl ester IUPAC Name: [5-bromo-2-methoxy-4-[(nonanoylamino)methyl]phenyl] (4,5-dimethoxy-2-nitrophenyl)methyl carbonate Traditional Name: carbonic acid [5-bromo-2-methoxy-4-[(pelargonylamino)methyl]phenyl] (4,5-dimethoxy-2-nitro-benzyl) ester Formula: C27H35BrN2O9 MolecularWeight: 611.4788

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(=O)NCC1=CC(=C(C=C1Br)OC(=O)OCC2=CC(=C(C=C2[N+](=O)[O-])OC)OC)OC

Isomeric SMILES

CCCCCCCCC(=O)NCC1=CC(=C(C=C1Br)OC(=O)OCC2=CC(=C(C=C2[N+](=O)[O-])OC)OC)OC

InChI

InChI=1S/C27H35BrN2O9/c1-5-6-7-8-9-10-11-26(31)29-16-18-12-23(36-3)25(14-20(18)28)39-27(32)38-17-19-13-22(35-2)24(37-4)15-21(19)30(33)34/h12-15H,5-11,16-17H2,1-4H3,(H,29,31)