[1-[(2-methoxy-5-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(4-chloranyl-3-methyl-phenoxy)butanoate

Systemtic Name: [1-[(2-methoxy-5-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(4-chloranyl-3-methyl-phenoxy)butanoate Openeye Name: [2-(2-methoxy-5-nitro-anilino)-1-methyl-2-oxo-ethyl] 4-(4-chloro-3-methyl-phenoxy)butanoate CAS Name: 4-(4-chloro-3-methylphenoxy)butanoic acid [1-(2-methoxy-5-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-methoxy-5-nitroanilino)-1-oxopropan-2-yl] 4-(4-chloro-3-methylphenoxy)butanoate Traditional Name: 4-(4-chloro-3-methyl-phenoxy)butyric acid [2-keto-2-(2-methoxy-5-nitro-anilino)-1-methyl-ethyl] ester Formula: C21H23ClN2O7 MolecularWeight: 450.86952

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23ClN2O7/c1-13-11-16(7-8-17(13)22)30-10-4-5-20(25)31-14(2)21(26)23-18-12-15(24(27)28)6-9-19(18)29-3/h6-9,11-12,14H,4-5,10H2,1-3H3,(H,23,26)