[4-(4-fluorophenyl)-4-oxidanylidene-butyl] 4-(methylamino)-3-nitro-benzoate

Systemtic Name: [4-(4-fluorophenyl)-4-oxidanylidene-butyl] 4-(methylamino)-3-nitro-benzoate Openeye Name: [4-(4-fluorophenyl)-4-oxo-butyl] 4-(methylamino)-3-nitro-benzoate CAS Name: 4-(methylamino)-3-nitrobenzoic acid [4-(4-fluorophenyl)-4-oxobutyl] ester IUPAC Name: [4-(4-fluorophenyl)-4-oxobutyl] 4-(methylamino)-3-nitrobenzoate Traditional Name: 4-(methylamino)-3-nitro-benzoic acid [4-(4-fluorophenyl)-4-keto-butyl] ester Formula: C18H17FN2O5 MolecularWeight: 360.336383

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C=C1)C(=O)OCCCC(=O)C2=CC=C(C=C2)F)[N+](=O)[O-]

Isomeric SMILES

CNC1=C(C=C(C=C1)C(=O)OCCCC(=O)C2=CC=C(C=C2)F)[N+](=O)[O-]

InChI

InChI=1S/C18H17FN2O5/c1-20-15-9-6-13(11-16(15)21(24)25)18(23)26-10-2-3-17(22)12-4-7-14(19)8-5-12/h4-9,11,20H,2-3,10H2,1H3