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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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