[(2R)-1-[(3-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(4-methoxyphenoxy)butanoate

Systemtic Name: [(2R)-1-[(3-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(4-methoxyphenoxy)butanoate Openeye Name: [(1R)-1-methyl-2-(3-nitroanilino)-2-oxo-ethyl] 4-(4-methoxyphenoxy)butanoate CAS Name: 4-(4-methoxyphenoxy)butanoic acid [(2R)-1-(3-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(3-nitroanilino)-1-oxopropan-2-yl] 4-(4-methoxyphenoxy)butanoate Traditional Name: 4-(4-methoxyphenoxy)butyric acid [(1R)-2-keto-1-methyl-2-(3-nitroanilino)ethyl] ester Formula: C20H22N2O7 MolecularWeight: 402.39788

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=CC=C1)[N+](=O)[O-])OC(=O)CCCOC2=CC=C(C=C2)OC

Isomeric SMILES

C[C@H](C(=O)NC1=CC(=CC=C1)[N+](=O)[O-])OC(=O)CCCOC2=CC=C(C=C2)OC

InChI

InChI=1S/C20H22N2O7/c1-14(20(24)21-15-5-3-6-16(13-15)22(25)26)29-19(23)7-4-12-28-18-10-8-17(27-2)9-11-18/h3,5-6,8-11,13-14H,4,7,12H2,1-2H3,(H,21,24)/t14-/m1/s1