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

Systemtic Name: methyl 4-[2-(2,4-dimethylphenyl)-2-oxidanylidene-ethoxy]-3-nitro-benzoate Openeye Name: methyl 4-[2-(2,4-dimethylphenyl)-2-oxo-ethoxy]-3-nitro-benzoate CAS Name: 4-[2-(2,4-dimethylphenyl)-2-oxoethoxy]-3-nitrobenzoic acid methyl ester IUPAC Name: methyl 4-[2-(2,4-dimethylphenyl)-2-oxoethoxy]-3-nitrobenzoate Traditional Name: 4-[2-(2,4-dimethylphenyl)-2-keto-ethoxy]-3-nitro-benzoic acid methyl ester Formula: C18H17NO6 MolecularWeight: 343.33068

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)COC2=C(C=C(C=C2)C(=O)OC)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)COC2=C(C=C(C=C2)C(=O)OC)[N+](=O)[O-])C

InChI

InChI=1S/C18H17NO6/c1-11-4-6-14(12(2)8-11)16(20)10-25-17-7-5-13(18(21)24-3)9-15(17)19(22)23/h4-9H,10H2,1-3H3