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

Systemtic Name: [4-[1-[4-(3-nitrophenyl)carbonyloxyphenyl]-3-oxidanylidene-2-benzofuran-1-yl]phenyl] 3-nitrobenzoate Openeye Name: [4-[1-[4-(3-nitrobenzoyl)oxyphenyl]-3-oxo-isobenzofuran-1-yl]phenyl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [4-[1-[4-[(3-nitrophenyl)-oxomethoxy]phenyl]-3-oxo-1-isobenzofuranyl]phenyl] ester IUPAC Name: [4-[1-[4-(3-nitrobenzoyl)oxyphenyl]-3-oxo-2-benzofuran-1-yl]phenyl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [4-[3-keto-1-[4-(3-nitrobenzoyl)oxyphenyl]phthalan-1-yl]phenyl] ester Formula: C34H20N2O10 MolecularWeight: 616.53

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)OC2(C3=CC=C(C=C3)OC(=O)C4=CC(=CC=C4)[N+](=O)[O-])C5=CC=C(C=C5)OC(=O)C6=CC(=CC=C6)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)OC2(C3=CC=C(C=C3)OC(=O)C4=CC(=CC=C4)[N+](=O)[O-])C5=CC=C(C=C5)OC(=O)C6=CC(=CC=C6)[N+](=O)[O-]

InChI

InChI=1S/C34H20N2O10/c37-31(21-5-3-7-25(19-21)35(40)41)44-27-15-11-23(12-16-27)34(30-10-2-1-9-29(30)33(39)46-34)24-13-17-28(18-14-24)45-32(38)22-6-4-8-26(20-22)36(42)43/h1-20H