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

Systemtic Name: [2-[(5-methoxy-2-methyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 3-(4-methylphenoxy)propanoate Openeye Name: [2-(5-methoxy-2-methyl-4-nitro-anilino)-2-oxo-ethyl] 3-(4-methylphenoxy)propanoate CAS Name: 3-(4-methylphenoxy)propanoic acid [2-(5-methoxy-2-methyl-4-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(5-methoxy-2-methyl-4-nitroanilino)-2-oxoethyl] 3-(4-methylphenoxy)propanoate Traditional Name: 3-(4-methylphenoxy)propionic acid [2-keto-2-(5-methoxy-2-methyl-4-nitro-anilino)ethyl] ester Formula: C20H22N2O7 MolecularWeight: 402.39788

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OCCC(=O)OCC(=O)NC2=CC(=C(C=C2C)[N+](=O)[O-])OC

Isomeric SMILES

CC1=CC=C(C=C1)OCCC(=O)OCC(=O)NC2=CC(=C(C=C2C)[N+](=O)[O-])OC

InChI

InChI=1S/C20H22N2O7/c1-13-4-6-15(7-5-13)28-9-8-20(24)29-12-19(23)21-16-11-18(27-3)17(22(25)26)10-14(16)2/h4-7,10-11H,8-9,12H2,1-3H3,(H,21,23)