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

Systemtic Name: (3S,4R)-4-[(2,4-dimethylphenyl)amino]-4-(4-nitrophenyl)-3-oxidanyl-butan-2-one Openeye Name: (3S,4R)-4-(2,4-dimethylanilino)-3-hydroxy-4-(4-nitrophenyl)butan-2-one CAS Name: (3S,4R)-4-(2,4-dimethylanilino)-3-hydroxy-4-(4-nitrophenyl)-2-butanone IUPAC Name: (3S,4R)-4-(2,4-dimethylanilino)-3-hydroxy-4-(4-nitrophenyl)butan-2-one Traditional Name: (3S,4R)-4-(2,4-dimethylanilino)-3-hydroxy-4-(4-nitrophenyl)butan-2-one Formula: C18H20N2O4 MolecularWeight: 328.3624

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C18H20N2O4/c1-11-4-9-16(12(2)10-11)19-17(18(22)13(3)21)14-5-7-15(8-6-14)20(23)24/h4-10,17-19,22H,1-3H3/t17-,18-/m1/s1