methyl 4-[2-(4-butylphenyl)-2-oxidanylidene-ethoxy]-3-nitro-benzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C(=O)COC2=C(C=C(C=C2)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CCCCC1=CC=C(C=C1)C(=O)COC2=C(C=C(C=C2)C(=O)OC)[N+](=O)[O-]

InChI

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