(1R,2R)-1-[(4-methoxyphenyl)amino]-1-(4-nitrophenyl)-2-oxidanyl-pentan-3-one

Systemtic Name: (1R,2R)-1-[(4-methoxyphenyl)amino]-1-(4-nitrophenyl)-2-oxidanyl-pentan-3-one Openeye Name: (1R,2R)-2-hydroxy-1-(4-methoxyanilino)-1-(4-nitrophenyl)pentan-3-one CAS Name: (1R,2R)-2-hydroxy-1-(4-methoxyanilino)-1-(4-nitrophenyl)-3-pentanone IUPAC Name: (1R,2R)-2-hydroxy-1-(4-methoxyanilino)-1-(4-nitrophenyl)pentan-3-one Traditional Name: (1R,2R)-2-hydroxy-1-(4-nitrophenyl)-1-(p-anisidino)pentan-3-one Formula: C18H20N2O5 MolecularWeight: 344.3618

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C(C(C1=CC=C(C=C1)[N+](=O)[O-])NC2=CC=C(C=C2)OC)O

Isomeric SMILES

CCC(=O)[C@@H]([C@@H](C1=CC=C(C=C1)[N+](=O)[O-])NC2=CC=C(C=C2)OC)O

InChI

InChI=1S/C18H20N2O5/c1-3-16(21)18(22)17(12-4-8-14(9-5-12)20(23)24)19-13-6-10-15(25-2)11-7-13/h4-11,17-19,22H,3H2,1-2H3/t17-,18+/m1/s1