[2-[(2-fluoranyl-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 4-(4-chloranyl-3-methyl-phenoxy)butanoate

Systemtic Name: [2-[(2-fluoranyl-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 4-(4-chloranyl-3-methyl-phenoxy)butanoate Openeye Name: [2-(2-fluoro-5-nitro-anilino)-2-oxo-ethyl] 4-(4-chloro-3-methyl-phenoxy)butanoate CAS Name: 4-(4-chloro-3-methylphenoxy)butanoic acid [2-(2-fluoro-5-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-fluoro-5-nitroanilino)-2-oxoethyl] 4-(4-chloro-3-methylphenoxy)butanoate Traditional Name: 4-(4-chloro-3-methyl-phenoxy)butyric acid [2-(2-fluoro-5-nitro-anilino)-2-keto-ethyl] ester Formula: C19H18ClFN2O6 MolecularWeight: 424.807423

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCCCC(=O)OCC(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])F)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)OCCCC(=O)OCC(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])F)Cl

InChI

InChI=1S/C19H18ClFN2O6/c1-12-9-14(5-6-15(12)20)28-8-2-3-19(25)29-11-18(24)22-17-10-13(23(26)27)4-7-16(17)21/h4-7,9-10H,2-3,8,11H2,1H3,(H,22,24)