(E)-2-cyano-3-(4-methoxy-3-nitro-phenyl)-N-[[(2R)-oxolan-2-yl]methyl]prop-2-enamide

Systemtic Name: (E)-2-cyano-3-(4-methoxy-3-nitro-phenyl)-N-[[(2R)-oxolan-2-yl]methyl]prop-2-enamide Openeye Name: (E)-2-cyano-3-(4-methoxy-3-nitro-phenyl)-N-[[(2R)-tetrahydrofuran-2-yl]methyl]prop-2-enamide CAS Name: (E)-2-cyano-3-(4-methoxy-3-nitrophenyl)-N-[[(2R)-2-oxolanyl]methyl]-2-propenamide IUPAC Name: (E)-2-cyano-3-(4-methoxy-3-nitrophenyl)-N-[[(2R)-oxolan-2-yl]methyl]prop-2-enamide Traditional Name: (E)-2-cyano-3-(4-methoxy-3-nitro-phenyl)-N-[[(2R)-tetrahydrofuran-2-yl]methyl]acrylamide Formula: C16H17N3O5 MolecularWeight: 331.32328

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=C(C#N)C(=O)NCC2CCCO2)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C(\C#N)/C(=O)NC[C@H]2CCCO2)[N+](=O)[O-]

InChI

InChI=1S/C16H17N3O5/c1-23-15-5-4-11(8-14(15)19(21)22)7-12(9-17)16(20)18-10-13-3-2-6-24-13/h4-5,7-8,13H,2-3,6,10H2,1H3,(H,18,20)/b12-7+/t13-/m1/s1