methyl 3-methoxy-4-[2-(5-methoxycarbonyl-2-nitro-phenyl)-3-oxidanylidene-propyl]benzoate

Systemtic Name: methyl 3-methoxy-4-[2-(5-methoxycarbonyl-2-nitro-phenyl)-3-oxidanylidene-propyl]benzoate Openeye Name: methyl 3-methoxy-4-[2-(5-methoxycarbonyl-2-nitro-phenyl)-3-oxo-propyl]benzoate CAS Name: 3-methoxy-4-[2-(5-methoxycarbonyl-2-nitrophenyl)-3-oxopropyl]benzoic acid methyl ester IUPAC Name: methyl 3-methoxy-4-[2-(5-methoxycarbonyl-2-nitrophenyl)-3-oxopropyl]benzoate Traditional Name: 4-[2-(5-carbomethoxy-2-nitro-phenyl)-3-keto-propyl]-3-methoxy-benzoic acid methyl ester Formula: C20H19NO8 MolecularWeight: 401.36676

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)OC)CC(C=O)C2=C(C=CC(=C2)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)OC)CC(C=O)C2=C(C=CC(=C2)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C20H19NO8/c1-27-18-10-14(20(24)29-3)5-4-12(18)8-15(11-22)16-9-13(19(23)28-2)6-7-17(16)21(25)26/h4-7,9-11,15H,8H2,1-3H3