(2S)-2-[(3,5-dimethyl-4-nitro-phenyl)amino]butan-1-ol

Systemtic Name: (2S)-2-[(3,5-dimethyl-4-nitro-phenyl)amino]butan-1-ol Openeye Name: (2S)-2-(3,5-dimethyl-4-nitro-anilino)butan-1-ol CAS Name: (2S)-2-(3,5-dimethyl-4-nitroanilino)-1-butanol IUPAC Name: (2S)-2-(3,5-dimethyl-4-nitroanilino)butan-1-ol Traditional Name: (2S)-2-(3,5-dimethyl-4-nitro-anilino)butan-1-ol Formula: C12H18N2O3 MolecularWeight: 238.28292

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CO)NC1=CC(=C(C(=C1)C)[N+](=O)[O-])C

Isomeric SMILES

CC[C@@H](CO)NC1=CC(=C(C(=C1)C)[N+](=O)[O-])C

InChI

InChI=1S/C12H18N2O3/c1-4-10(7-15)13-11-5-8(2)12(14(16)17)9(3)6-11/h5-6,10,13,15H,4,7H2,1-3H3/t10-/m0/s1