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

Systemtic Name: [2-[(2-methyl-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 4-(3-methylphenoxy)butanoate Openeye Name: [2-(2-methyl-5-nitro-anilino)-2-oxo-ethyl] 4-(3-methylphenoxy)butanoate CAS Name: 4-(3-methylphenoxy)butanoic acid [2-(2-methyl-5-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methyl-5-nitroanilino)-2-oxoethyl] 4-(3-methylphenoxy)butanoate Traditional Name: 4-(3-methylphenoxy)butyric acid [2-keto-2-(2-methyl-5-nitro-anilino)ethyl] ester Formula: C20H22N2O6 MolecularWeight: 386.39848

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O6/c1-14-5-3-6-17(11-14)27-10-4-7-20(24)28-13-19(23)21-18-12-16(22(25)26)9-8-15(18)2/h3,5-6,8-9,11-12H,4,7,10,13H2,1-2H3,(H,21,23)