[2-methyl-6-[[3-methyl-5-nitro-4-oxidanyl-2-(phenylcarbonyloxy)phenyl]methyl]-4-nitro-3-oxidanyl-phenyl] benzoate

Systemtic Name: [2-methyl-6-[[3-methyl-5-nitro-4-oxidanyl-2-(phenylcarbonyloxy)phenyl]methyl]-4-nitro-3-oxidanyl-phenyl] benzoate Openeye Name: [6-[(2-benzoyloxy-4-hydroxy-3-methyl-5-nitro-phenyl)methyl]-3-hydroxy-2-methyl-4-nitro-phenyl] benzoate CAS Name: benzoic acid [6-[(2-benzoyloxy-4-hydroxy-3-methyl-5-nitrophenyl)methyl]-3-hydroxy-2-methyl-4-nitrophenyl] ester IUPAC Name: [6-[(2-benzoyloxy-4-hydroxy-3-methyl-5-nitrophenyl)methyl]-3-hydroxy-2-methyl-4-nitrophenyl] benzoate Traditional Name: benzoic acid [6-(2-benzoyloxy-4-hydroxy-3-methyl-5-nitro-benzyl)-3-hydroxy-2-methyl-4-nitro-phenyl] ester Formula: C29H22N2O10 MolecularWeight: 558.49238

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1O)[N+](=O)[O-])CC2=CC(=C(C(=C2OC(=O)C3=CC=CC=C3)C)O)[N+](=O)[O-])OC(=O)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=CC(=C1O)[N+](=O)[O-])CC2=CC(=C(C(=C2OC(=O)C3=CC=CC=C3)C)O)[N+](=O)[O-])OC(=O)C4=CC=CC=C4

InChI

InChI=1S/C29H22N2O10/c1-16-24(32)22(30(36)37)14-20(26(16)40-28(34)18-9-5-3-6-10-18)13-21-15-23(31(38)39)25(33)17(2)27(21)41-29(35)19-11-7-4-8-12-19/h3-12,14-15,32-33H,13H2,1-2H3