(2S)-2-azanyl-N-(4-cyanophenyl)-3-[4-[(4-nitropyridin-2-yl)methoxy]phenyl]propanamide

Systemtic Name: (2S)-2-azanyl-N-(4-cyanophenyl)-3-[4-[(4-nitropyridin-2-yl)methoxy]phenyl]propanamide Openeye Name: (2S)-2-amino-N-(4-cyanophenyl)-3-[4-[(4-nitro-2-pyridyl)methoxy]phenyl]propanamide CAS Name: (2S)-2-amino-N-(4-cyanophenyl)-3-[4-[(4-nitro-2-pyridinyl)methoxy]phenyl]propanamide IUPAC Name: (2S)-2-amino-N-(4-cyanophenyl)-3-[4-[(4-nitropyridin-2-yl)methoxy]phenyl]propanamide Traditional Name: (2S)-2-amino-N-(4-cyanophenyl)-3-[4-[(4-nitro-2-pyridyl)methoxy]phenyl]propionamide Formula: C22H19N5O4 MolecularWeight: 417.41736

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(C(=O)NC2=CC=C(C=C2)C#N)N)OCC3=NC=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C[C@@H](C(=O)NC2=CC=C(C=C2)C#N)N)OCC3=NC=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H19N5O4/c23-13-16-1-5-17(6-2-16)26-22(28)21(24)11-15-3-7-20(8-4-15)31-14-18-12-19(27(29)30)9-10-25-18/h1-10,12,21H,11,14,24H2,(H,26,28)/t21-/m0/s1