methyl 4-[2-(4-acetamido-2-fluoranyl-phenyl)-2-oxidanylidene-ethoxy]-3-nitro-benzoate

Systemtic Name: methyl 4-[2-(4-acetamido-2-fluoranyl-phenyl)-2-oxidanylidene-ethoxy]-3-nitro-benzoate Openeye Name: methyl 4-[2-(4-acetamido-2-fluoro-phenyl)-2-oxo-ethoxy]-3-nitro-benzoate CAS Name: 4-[2-(4-acetamido-2-fluorophenyl)-2-oxoethoxy]-3-nitrobenzoic acid methyl ester IUPAC Name: methyl 4-[2-(4-acetamido-2-fluorophenyl)-2-oxoethoxy]-3-nitrobenzoate Traditional Name: 4-[2-(4-acetamido-2-fluoro-phenyl)-2-keto-ethoxy]-3-nitro-benzoic acid methyl ester Formula: C18H15FN2O7 MolecularWeight: 390.319303

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=C(C=C1)C(=O)COC2=C(C=C(C=C2)C(=O)OC)[N+](=O)[O-])F

Isomeric SMILES

CC(=O)NC1=CC(=C(C=C1)C(=O)COC2=C(C=C(C=C2)C(=O)OC)[N+](=O)[O-])F

InChI

InChI=1S/C18H15FN2O7/c1-10(22)20-12-4-5-13(14(19)8-12)16(23)9-28-17-6-3-11(18(24)27-2)7-15(17)21(25)26/h3-8H,9H2,1-2H3,(H,20,22)