methyl 4-[2-(2,5-diethylphenyl)-2-oxidanylidene-ethoxy]-3-nitro-benzoate

Systemtic Name: methyl 4-[2-(2,5-diethylphenyl)-2-oxidanylidene-ethoxy]-3-nitro-benzoate Openeye Name: methyl 4-[2-(2,5-diethylphenyl)-2-oxo-ethoxy]-3-nitro-benzoate CAS Name: 4-[2-(2,5-diethylphenyl)-2-oxoethoxy]-3-nitrobenzoic acid methyl ester IUPAC Name: methyl 4-[2-(2,5-diethylphenyl)-2-oxoethoxy]-3-nitrobenzoate Traditional Name: 4-[2-(2,5-diethylphenyl)-2-keto-ethoxy]-3-nitro-benzoic acid methyl ester Formula: C20H21NO6 MolecularWeight: 371.38384

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1)CC)C(=O)COC2=C(C=C(C=C2)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CCC1=CC(=C(C=C1)CC)C(=O)COC2=C(C=C(C=C2)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C20H21NO6/c1-4-13-6-7-14(5-2)16(10-13)18(22)12-27-19-9-8-15(20(23)26-3)11-17(19)21(24)25/h6-11H,4-5,12H2,1-3H3