[4-(4-fluorophenyl)-4-oxidanylidene-butyl] 2-(6-nitro-3-oxidanylidene-1,4-benzoxazin-4-yl)ethanoate

Systemtic Name: [4-(4-fluorophenyl)-4-oxidanylidene-butyl] 2-(6-nitro-3-oxidanylidene-1,4-benzoxazin-4-yl)ethanoate Openeye Name: [4-(4-fluorophenyl)-4-oxo-butyl] 2-(6-nitro-3-oxo-1,4-benzoxazin-4-yl)acetate CAS Name: 2-(6-nitro-3-oxo-1,4-benzoxazin-4-yl)acetic acid [4-(4-fluorophenyl)-4-oxobutyl] ester IUPAC Name: [4-(4-fluorophenyl)-4-oxobutyl] 2-(6-nitro-3-oxo-1,4-benzoxazin-4-yl)acetate Traditional Name: 2-(3-keto-6-nitro-1,4-benzoxazin-4-yl)acetic acid [4-(4-fluorophenyl)-4-keto-butyl] ester Formula: C20H17FN2O7 MolecularWeight: 416.356583

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)N(C2=C(O1)C=CC(=C2)[N+](=O)[O-])CC(=O)OCCCC(=O)C3=CC=C(C=C3)F

Isomeric SMILES

C1C(=O)N(C2=C(O1)C=CC(=C2)[N+](=O)[O-])CC(=O)OCCCC(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C20H17FN2O7/c21-14-5-3-13(4-6-14)17(24)2-1-9-29-20(26)11-22-16-10-15(23(27)28)7-8-18(16)30-12-19(22)25/h3-8,10H,1-2,9,11-12H2