[(4-chlorophenyl)-(3-oxidanylidene-1H-2-benzofuran-1-yl)methyl] 4-nitrobenzoate

Systemtic Name: [(4-chlorophenyl)-(3-oxidanylidene-1H-2-benzofuran-1-yl)methyl] 4-nitrobenzoate Openeye Name: [(4-chlorophenyl)-(3-oxo-1H-isobenzofuran-1-yl)methyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [(4-chlorophenyl)-(3-oxo-1H-isobenzofuran-1-yl)methyl] ester IUPAC Name: [(4-chlorophenyl)-(3-oxo-1H-2-benzofuran-1-yl)methyl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [(4-chlorophenyl)-phthalidyl-methyl] ester Formula: C22H14ClNO6 MolecularWeight: 423.80266

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H14ClNO6/c23-15-9-5-13(6-10-15)19(20-17-3-1-2-4-18(17)22(26)30-20)29-21(25)14-7-11-16(12-8-14)24(27)28/h1-12,19-20H