[(3-ethoxy-4-methoxy-phenyl)-(3-oxidanylidene-1H-2-benzofuran-1-yl)methyl] 4-nitrobenzoate

Systemtic Name: [(3-ethoxy-4-methoxy-phenyl)-(3-oxidanylidene-1H-2-benzofuran-1-yl)methyl] 4-nitrobenzoate Openeye Name: [(3-ethoxy-4-methoxy-phenyl)-(3-oxo-1H-isobenzofuran-1-yl)methyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [(3-ethoxy-4-methoxyphenyl)-(3-oxo-1H-isobenzofuran-1-yl)methyl] ester IUPAC Name: [(3-ethoxy-4-methoxyphenyl)-(3-oxo-1H-2-benzofuran-1-yl)methyl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [(3-ethoxy-4-methoxy-phenyl)-phthalidyl-methyl] ester Formula: C25H21NO8 MolecularWeight: 463.43614

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(C2C3=CC=CC=C3C(=O)O2)OC(=O)C4=CC=C(C=C4)[N+](=O)[O-])OC

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(C2C3=CC=CC=C3C(=O)O2)OC(=O)C4=CC=C(C=C4)[N+](=O)[O-])OC

InChI

InChI=1S/C25H21NO8/c1-3-32-21-14-16(10-13-20(21)31-2)22(23-18-6-4-5-7-19(18)25(28)34-23)33-24(27)15-8-11-17(12-9-15)26(29)30/h4-14,22-23H,3H2,1-2H3