[2-methyl-4-[1-[3-methyl-4-(3-nitrophenyl)carbonyloxy-phenyl]-3-oxidanylidene-2-benzofuran-1-yl]phenyl] 3-nitrobenzoate

Systemtic Name: [2-methyl-4-[1-[3-methyl-4-(3-nitrophenyl)carbonyloxy-phenyl]-3-oxidanylidene-2-benzofuran-1-yl]phenyl] 3-nitrobenzoate Openeye Name: [2-methyl-4-[1-[3-methyl-4-(3-nitrobenzoyl)oxy-phenyl]-3-oxo-isobenzofuran-1-yl]phenyl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [2-methyl-4-[1-[3-methyl-4-[(3-nitrophenyl)-oxomethoxy]phenyl]-3-oxo-1-isobenzofuranyl]phenyl] ester IUPAC Name: [2-methyl-4-[1-[3-methyl-4-(3-nitrobenzoyl)oxyphenyl]-3-oxo-2-benzofuran-1-yl]phenyl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [4-[3-keto-1-[3-methyl-4-(3-nitrobenzoyl)oxy-phenyl]phthalan-1-yl]-2-methyl-phenyl] ester Formula: C36H24N2O10 MolecularWeight: 644.58316

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C2(C3=CC=CC=C3C(=O)O2)C4=CC(=C(C=C4)OC(=O)C5=CC(=CC=C5)[N+](=O)[O-])C)OC(=O)C6=CC(=CC=C6)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C2(C3=CC=CC=C3C(=O)O2)C4=CC(=C(C=C4)OC(=O)C5=CC(=CC=C5)[N+](=O)[O-])C)OC(=O)C6=CC(=CC=C6)[N+](=O)[O-]

InChI

InChI=1S/C36H24N2O10/c1-21-17-25(13-15-31(21)46-33(39)23-7-5-9-27(19-23)37(42)43)36(30-12-4-3-11-29(30)35(41)48-36)26-14-16-32(22(2)18-26)47-34(40)24-8-6-10-28(20-24)38(44)45/h3-20H,1-2H3