2-methyl-4-[[3-methyl-5-nitro-4-oxidanidyl-2-(phenylcarbonyloxy)phenyl]methyl]-6-nitro-3-(phenylcarbonyloxy)phenolate

Systemtic Name: 2-methyl-4-[[3-methyl-5-nitro-4-oxidanidyl-2-(phenylcarbonyloxy)phenyl]methyl]-6-nitro-3-(phenylcarbonyloxy)phenolate Openeye Name: 3-benzoyloxy-4-[(2-benzoyloxy-3-methyl-5-nitro-4-oxido-phenyl)methyl]-2-methyl-6-nitro-phenolate CAS Name: 3-benzoyloxy-4-[(2-benzoyloxy-3-methyl-5-nitro-4-oxidophenyl)methyl]-2-methyl-6-nitrophenolate IUPAC Name: 3-benzoyloxy-4-[(2-benzoyloxy-3-methyl-5-nitro-4-oxidophenyl)methyl]-2-methyl-6-nitrophenolate Traditional Name: 3-benzoyloxy-4-(2-benzoyloxy-3-methyl-5-nitro-4-oxido-benzyl)-2-methyl-6-nitro-phenolate Formula: C29H20N2O10-2 MolecularWeight: 556.4765

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1[O-])[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(=C1[O-])[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/p-2