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

Systemtic Name: (3S,4R)-4-[(4-methylphenyl)amino]-4-(4-nitrophenyl)-3-oxidanyl-butan-2-one Openeye Name: (3S,4R)-3-hydroxy-4-(4-methylanilino)-4-(4-nitrophenyl)butan-2-one CAS Name: (3S,4R)-3-hydroxy-4-(4-methylanilino)-4-(4-nitrophenyl)-2-butanone IUPAC Name: (3S,4R)-3-hydroxy-4-(4-methylanilino)-4-(4-nitrophenyl)butan-2-one Traditional Name: (3S,4R)-3-hydroxy-4-(4-nitrophenyl)-4-(p-toluidino)butan-2-one Formula: C17H18N2O4 MolecularWeight: 314.33582

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(C2=CC=C(C=C2)[N+](=O)[O-])C(C(=O)C)O

Isomeric SMILES

CC1=CC=C(C=C1)N[C@H](C2=CC=C(C=C2)[N+](=O)[O-])[C@@H](C(=O)C)O

InChI

InChI=1S/C17H18N2O4/c1-11-3-7-14(8-4-11)18-16(17(21)12(2)20)13-5-9-15(10-6-13)19(22)23/h3-10,16-18,21H,1-2H3/t16-,17-/m1/s1