4-[(1S)-2-azanyl-1-[methyl(2-pyridin-4-ylethyl)amino]ethyl]-2-nitro-phenol

Systemtic Name: 4-[(1S)-2-azanyl-1-[methyl(2-pyridin-4-ylethyl)amino]ethyl]-2-nitro-phenol Openeye Name: 4-[(1S)-2-amino-1-[methyl-[2-(4-pyridyl)ethyl]amino]ethyl]-2-nitro-phenol CAS Name: 4-[(1S)-2-amino-1-[methyl(2-pyridin-4-ylethyl)amino]ethyl]-2-nitrophenol IUPAC Name: 4-[(1S)-2-amino-1-[methyl(2-pyridin-4-ylethyl)amino]ethyl]-2-nitrophenol Traditional Name: 4-[(1S)-2-amino-1-[methyl-[2-(4-pyridyl)ethyl]amino]ethyl]-2-nitro-phenol Formula: C16H20N4O3 MolecularWeight: 316.355

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC1=CC=NC=C1)C(CN)C2=CC(=C(C=C2)O)[N+](=O)[O-]

Isomeric SMILES

CN(CCC1=CC=NC=C1)[C@H](CN)C2=CC(=C(C=C2)O)[N+](=O)[O-]

InChI

InChI=1S/C16H20N4O3/c1-19(9-6-12-4-7-18-8-5-12)15(11-17)13-2-3-16(21)14(10-13)20(22)23/h2-5,7-8,10,15,21H,6,9,11,17H2,1H3/t15-/m1/s1