3-phenylpropyl 5-[(2-fluoranyl-5-nitro-phenyl)amino]-5-oxidanylidene-pentanoate

Systemtic Name: 3-phenylpropyl 5-[(2-fluoranyl-5-nitro-phenyl)amino]-5-oxidanylidene-pentanoate Openeye Name: 3-phenylpropyl 5-(2-fluoro-5-nitro-anilino)-5-oxo-pentanoate CAS Name: 5-(2-fluoro-5-nitroanilino)-5-oxopentanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 5-(2-fluoro-5-nitroanilino)-5-oxopentanoate Traditional Name: 5-(2-fluoro-5-nitro-anilino)-5-keto-valeric acid 3-phenylpropyl ester Formula: C20H21FN2O5 MolecularWeight: 388.389543

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCOC(=O)CCCC(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])F

Isomeric SMILES

C1=CC=C(C=C1)CCCOC(=O)CCCC(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])F

InChI

InChI=1S/C20H21FN2O5/c21-17-12-11-16(23(26)27)14-18(17)22-19(24)9-4-10-20(25)28-13-5-8-15-6-2-1-3-7-15/h1-3,6-7,11-12,14H,4-5,8-10,13H2,(H,22,24)