(3S,4R)-4-[(4-methoxyphenyl)amino]-4-(3-nitrophenyl)-3-oxidanyl-butan-2-one

Systemtic Name: (3S,4R)-4-[(4-methoxyphenyl)amino]-4-(3-nitrophenyl)-3-oxidanyl-butan-2-one Openeye Name: (3S,4R)-3-hydroxy-4-(4-methoxyanilino)-4-(3-nitrophenyl)butan-2-one CAS Name: (3S,4R)-3-hydroxy-4-(4-methoxyanilino)-4-(3-nitrophenyl)-2-butanone IUPAC Name: (3S,4R)-3-hydroxy-4-(4-methoxyanilino)-4-(3-nitrophenyl)butan-2-one Traditional Name: (3S,4R)-3-hydroxy-4-(3-nitrophenyl)-4-(p-anisidino)butan-2-one Formula: C17H18N2O5 MolecularWeight: 330.33522

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N2O5/c1-11(20)17(21)16(12-4-3-5-14(10-12)19(22)23)18-13-6-8-15(24-2)9-7-13/h3-10,16-18,21H,1-2H3/t16-,17-/m1/s1