(3-nitrophenyl)methyl 4-[(4-fluorophenyl)amino]-4-oxidanylidene-butanoate

Systemtic Name: (3-nitrophenyl)methyl 4-[(4-fluorophenyl)amino]-4-oxidanylidene-butanoate Openeye Name: (3-nitrophenyl)methyl 4-(4-fluoroanilino)-4-oxo-butanoate CAS Name: 4-(4-fluoroanilino)-4-oxobutanoic acid (3-nitrophenyl)methyl ester IUPAC Name: (3-nitrophenyl)methyl 4-(4-fluoroanilino)-4-oxobutanoate Traditional Name: 4-(4-fluoroanilino)-4-keto-butyric acid (3-nitrobenzyl) ester Formula: C17H15FN2O5 MolecularWeight: 346.309803

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])COC(=O)CCC(=O)NC2=CC=C(C=C2)F

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])COC(=O)CCC(=O)NC2=CC=C(C=C2)F

InChI

InChI=1S/C17H15FN2O5/c18-13-4-6-14(7-5-13)19-16(21)8-9-17(22)25-11-12-2-1-3-15(10-12)20(23)24/h1-7,10H,8-9,11H2,(H,19,21)