(3-nitrophenyl)methyl 4-[2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethoxy]-3-methoxy-benzoate

Systemtic Name: (3-nitrophenyl)methyl 4-[2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethoxy]-3-methoxy-benzoate Openeye Name: (3-nitrophenyl)methyl 4-[2-(4-fluoroanilino)-2-oxo-ethoxy]-3-methoxy-benzoate CAS Name: 4-[2-(4-fluoroanilino)-2-oxoethoxy]-3-methoxybenzoic acid (3-nitrophenyl)methyl ester IUPAC Name: (3-nitrophenyl)methyl 4-[2-(4-fluoroanilino)-2-oxoethoxy]-3-methoxybenzoate Traditional Name: 4-[2-(4-fluoroanilino)-2-keto-ethoxy]-3-methoxy-benzoic acid (3-nitrobenzyl) ester Formula: C23H19FN2O7 MolecularWeight: 454.404563

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)OCC2=CC(=CC=C2)[N+](=O)[O-])OCC(=O)NC3=CC=C(C=C3)F

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)OCC2=CC(=CC=C2)[N+](=O)[O-])OCC(=O)NC3=CC=C(C=C3)F

InChI

InChI=1S/C23H19FN2O7/c1-31-21-12-16(23(28)33-13-15-3-2-4-19(11-15)26(29)30)5-10-20(21)32-14-22(27)25-18-8-6-17(24)7-9-18/h2-12H,13-14H2,1H3,(H,25,27)