(2S,3S)-3-[(4-methoxyphenyl)amino]-2-methyl-3-(4-nitrophenyl)propan-1-ol

Systemtic Name: (2S,3S)-3-[(4-methoxyphenyl)amino]-2-methyl-3-(4-nitrophenyl)propan-1-ol Openeye Name: (2S,3S)-3-(4-methoxyanilino)-2-methyl-3-(4-nitrophenyl)propan-1-ol CAS Name: (2S,3S)-3-(4-methoxyanilino)-2-methyl-3-(4-nitrophenyl)-1-propanol IUPAC Name: (2S,3S)-3-(4-methoxyanilino)-2-methyl-3-(4-nitrophenyl)propan-1-ol Traditional Name: (2S,3S)-2-methyl-3-(4-nitrophenyl)-3-(p-anisidino)propan-1-ol Formula: C17H20N2O4 MolecularWeight: 316.3517

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N2O4/c1-12(11-20)17(13-3-7-15(8-4-13)19(21)22)18-14-5-9-16(23-2)10-6-14/h3-10,12,17-18,20H,11H2,1-2H3/t12-,17+/m1/s1