(2R)-N-(2-cyanoethyl)-2-(6-methyl-2-nitro-pyridin-3-yl)oxy-N-phenyl-propanamide

Systemtic Name: (2R)-N-(2-cyanoethyl)-2-(6-methyl-2-nitro-pyridin-3-yl)oxy-N-phenyl-propanamide Openeye Name: (2R)-N-(2-cyanoethyl)-2-[(6-methyl-2-nitro-3-pyridyl)oxy]-N-phenyl-propanamide CAS Name: (2R)-N-(2-cyanoethyl)-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]-N-phenylpropanamide IUPAC Name: (2R)-N-(2-cyanoethyl)-2-(6-methyl-2-nitropyridin-3-yl)oxy-N-phenylpropanamide Traditional Name: (2R)-N-(2-cyanoethyl)-2-[(6-methyl-2-nitro-3-pyridyl)oxy]-N-phenyl-propionamide Formula: C18H18N4O4 MolecularWeight: 354.35992

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C=C1)OC(C)C(=O)N(CCC#N)C2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=NC(=C(C=C1)O[C@H](C)C(=O)N(CCC#N)C2=CC=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H18N4O4/c1-13-9-10-16(17(20-13)22(24)25)26-14(2)18(23)21(12-6-11-19)15-7-4-3-5-8-15/h3-5,7-10,14H,6,12H2,1-2H3/t14-/m1/s1