[1-[(4-fluoranyl-3-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(4-ethoxyphenyl)-4-oxidanylidene-butanoate

Systemtic Name: [1-[(4-fluoranyl-3-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(4-ethoxyphenyl)-4-oxidanylidene-butanoate Openeye Name: [2-(4-fluoro-3-nitro-anilino)-1-methyl-2-oxo-ethyl] 4-(4-ethoxyphenyl)-4-oxo-butanoate CAS Name: 4-(4-ethoxyphenyl)-4-oxobutanoic acid [1-(4-fluoro-3-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-fluoro-3-nitroanilino)-1-oxopropan-2-yl] 4-(4-ethoxyphenyl)-4-oxobutanoate Traditional Name: 4-keto-4-p-phenetyl-butyric acid [2-(4-fluoro-3-nitro-anilino)-2-keto-1-methyl-ethyl] ester Formula: C21H21FN2O7 MolecularWeight: 432.399043

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)CCC(=O)OC(C)C(=O)NC2=CC(=C(C=C2)F)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)CCC(=O)OC(C)C(=O)NC2=CC(=C(C=C2)F)[N+](=O)[O-]

InChI

InChI=1S/C21H21FN2O7/c1-3-30-16-7-4-14(5-8-16)19(25)10-11-20(26)31-13(2)21(27)23-15-6-9-17(22)18(12-15)24(28)29/h4-9,12-13H,3,10-11H2,1-2H3,(H,23,27)