[1-[(4-methoxy-2-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(4-methoxyphenoxy)propanoate

Systemtic Name: [1-[(4-methoxy-2-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(4-methoxyphenoxy)propanoate Openeye Name: [2-(4-methoxy-2-nitro-anilino)-1-methyl-2-oxo-ethyl] 3-(4-methoxyphenoxy)propanoate CAS Name: 3-(4-methoxyphenoxy)propanoic acid [1-(4-methoxy-2-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-methoxy-2-nitroanilino)-1-oxopropan-2-yl] 3-(4-methoxyphenoxy)propanoate Traditional Name: 3-(4-methoxyphenoxy)propionic acid [2-keto-2-(4-methoxy-2-nitro-anilino)-1-methyl-ethyl] ester Formula: C20H22N2O8 MolecularWeight: 418.39728

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=C(C=C1)OC)[N+](=O)[O-])OC(=O)CCOC2=CC=C(C=C2)OC

Isomeric SMILES

CC(C(=O)NC1=C(C=C(C=C1)OC)[N+](=O)[O-])OC(=O)CCOC2=CC=C(C=C2)OC

InChI

InChI=1S/C20H22N2O8/c1-13(20(24)21-17-9-8-16(28-3)12-18(17)22(25)26)30-19(23)10-11-29-15-6-4-14(27-2)5-7-15/h4-9,12-13H,10-11H2,1-3H3,(H,21,24)