(2-chloranyl-6-fluoranyl-phenyl)methyl 4-[(4-methyl-2-nitro-phenyl)amino]-4-oxidanylidene-butanoate

Systemtic Name: (2-chloranyl-6-fluoranyl-phenyl)methyl 4-[(4-methyl-2-nitro-phenyl)amino]-4-oxidanylidene-butanoate Openeye Name: (2-chloro-6-fluoro-phenyl)methyl 4-(4-methyl-2-nitro-anilino)-4-oxo-butanoate CAS Name: 4-(4-methyl-2-nitroanilino)-4-oxobutanoic acid (2-chloro-6-fluorophenyl)methyl ester IUPAC Name: (2-chloro-6-fluorophenyl)methyl 4-(4-methyl-2-nitroanilino)-4-oxobutanoate Traditional Name: 4-keto-4-(4-methyl-2-nitro-anilino)butyric acid (2-chloro-6-fluoro-benzyl) ester Formula: C18H16ClFN2O5 MolecularWeight: 394.781443

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)CCC(=O)OCC2=C(C=CC=C2Cl)F)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)CCC(=O)OCC2=C(C=CC=C2Cl)F)[N+](=O)[O-]

InChI

InChI=1S/C18H16ClFN2O5/c1-11-5-6-15(16(9-11)22(25)26)21-17(23)7-8-18(24)27-10-12-13(19)3-2-4-14(12)20/h2-6,9H,7-8,10H2,1H3,(H,21,23)