4-[(1R)-2-azanyl-1-[(3S)-3-methylpiperidin-1-yl]ethyl]-2-nitro-phenol

Systemtic Name: 4-[(1R)-2-azanyl-1-[(3S)-3-methylpiperidin-1-yl]ethyl]-2-nitro-phenol Openeye Name: 4-[(1R)-2-amino-1-[(3S)-3-methyl-1-piperidyl]ethyl]-2-nitro-phenol CAS Name: 4-[(1R)-2-amino-1-[(3S)-3-methyl-1-piperidinyl]ethyl]-2-nitrophenol IUPAC Name: 4-[(1R)-2-amino-1-[(3S)-3-methylpiperidin-1-yl]ethyl]-2-nitrophenol Traditional Name: 4-[(1R)-2-amino-1-[(3S)-3-methylpiperidino]ethyl]-2-nitro-phenol Formula: C14H21N3O3 MolecularWeight: 279.33484

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C(CN)C2=CC(=C(C=C2)O)[N+](=O)[O-]

Isomeric SMILES

C[C@H]1CCCN(C1)[C@@H](CN)C2=CC(=C(C=C2)O)[N+](=O)[O-]

InChI

InChI=1S/C14H21N3O3/c1-10-3-2-6-16(9-10)13(8-15)11-4-5-14(18)12(7-11)17(19)20/h4-5,7,10,13,18H,2-3,6,8-9,15H2,1H3/t10-,13-/m0/s1