(2R)-N-(1-cyanocyclohexyl)-2-(4-methanoyl-2-nitro-phenoxy)-N-methyl-propanamide

Systemtic Name: (2R)-N-(1-cyanocyclohexyl)-2-(4-methanoyl-2-nitro-phenoxy)-N-methyl-propanamide Openeye Name: (2R)-N-(1-cyanocyclohexyl)-2-(4-formyl-2-nitro-phenoxy)-N-methyl-propanamide CAS Name: (2R)-N-(1-cyanocyclohexyl)-2-(4-formyl-2-nitrophenoxy)-N-methylpropanamide IUPAC Name: (2R)-N-(1-cyanocyclohexyl)-2-(4-formyl-2-nitrophenoxy)-N-methylpropanamide Traditional Name: (2R)-N-(1-cyanocyclohexyl)-2-(4-formyl-2-nitro-phenoxy)-N-methyl-propionamide Formula: C18H21N3O5 MolecularWeight: 359.37644

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(C)C1(CCCCC1)C#N)OC2=C(C=C(C=C2)C=O)[N+](=O)[O-]

Isomeric SMILES

C[C@H](C(=O)N(C)C1(CCCCC1)C#N)OC2=C(C=C(C=C2)C=O)[N+](=O)[O-]

InChI

InChI=1S/C18H21N3O5/c1-13(17(23)20(2)18(12-19)8-4-3-5-9-18)26-16-7-6-14(11-22)10-15(16)21(24)25/h6-7,10-11,13H,3-5,8-9H2,1-2H3/t13-/m1/s1