(2S)-2-[(3-methyl-4-nitro-phenyl)amino]pentan-1-ol

Systemtic Name: (2S)-2-[(3-methyl-4-nitro-phenyl)amino]pentan-1-ol Openeye Name: (2S)-2-(3-methyl-4-nitro-anilino)pentan-1-ol CAS Name: (2S)-2-(3-methyl-4-nitroanilino)-1-pentanol IUPAC Name: (2S)-2-(3-methyl-4-nitroanilino)pentan-1-ol Traditional Name: (2S)-2-(3-methyl-4-nitro-anilino)pentan-1-ol Formula: C12H18N2O3 MolecularWeight: 238.28292

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H18N2O3/c1-3-4-11(8-15)13-10-5-6-12(14(16)17)9(2)7-10/h5-7,11,13,15H,3-4,8H2,1-2H3/t11-/m0/s1