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

Systemtic Name: [2-[(2-methyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 4-(4-chloranyl-2-methyl-phenoxy)butanoate Openeye Name: [2-(2-methyl-3-nitro-anilino)-2-oxo-ethyl] 4-(4-chloro-2-methyl-phenoxy)butanoate CAS Name: 4-(4-chloro-2-methylphenoxy)butanoic acid [2-(2-methyl-3-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methyl-3-nitroanilino)-2-oxoethyl] 4-(4-chloro-2-methylphenoxy)butanoate Traditional Name: 4-(4-chloro-2-methyl-phenoxy)butyric acid [2-keto-2-(2-methyl-3-nitro-anilino)ethyl] ester Formula: C20H21ClN2O6 MolecularWeight: 420.84354

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21ClN2O6/c1-13-11-15(21)8-9-18(13)28-10-4-7-20(25)29-12-19(24)22-16-5-3-6-17(14(16)2)23(26)27/h3,5-6,8-9,11H,4,7,10,12H2,1-2H3,(H,22,24)