[4-(4-fluorophenyl)-4-oxidanylidene-butyl] 2-[(4-methoxy-3-nitro-phenyl)carbonylamino]ethanoate

Systemtic Name: [4-(4-fluorophenyl)-4-oxidanylidene-butyl] 2-[(4-methoxy-3-nitro-phenyl)carbonylamino]ethanoate Openeye Name: [4-(4-fluorophenyl)-4-oxo-butyl] 2-[(4-methoxy-3-nitro-benzoyl)amino]acetate CAS Name: 2-[[(4-methoxy-3-nitrophenyl)-oxomethyl]amino]acetic acid [4-(4-fluorophenyl)-4-oxobutyl] ester IUPAC Name: [4-(4-fluorophenyl)-4-oxobutyl] 2-[(4-methoxy-3-nitrobenzoyl)amino]acetate Traditional Name: 2-[(4-methoxy-3-nitro-benzoyl)amino]acetic acid [4-(4-fluorophenyl)-4-keto-butyl] ester Formula: C20H19FN2O7 MolecularWeight: 418.372463

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NCC(=O)OCCCC(=O)C2=CC=C(C=C2)F)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NCC(=O)OCCCC(=O)C2=CC=C(C=C2)F)[N+](=O)[O-]

InChI

InChI=1S/C20H19FN2O7/c1-29-18-9-6-14(11-16(18)23(27)28)20(26)22-12-19(25)30-10-2-3-17(24)13-4-7-15(21)8-5-13/h4-9,11H,2-3,10,12H2,1H3,(H,22,26)