[(2R)-1-methoxypropan-2-yl] (E)-2-cyano-3-(4-ethyl-3-nitro-phenyl)prop-2-enoate

Systemtic Name: [(2R)-1-methoxypropan-2-yl] (E)-2-cyano-3-(4-ethyl-3-nitro-phenyl)prop-2-enoate Openeye Name: [(1R)-2-methoxy-1-methyl-ethyl] (E)-2-cyano-3-(4-ethyl-3-nitro-phenyl)prop-2-enoate CAS Name: (E)-2-cyano-3-(4-ethyl-3-nitrophenyl)-2-propenoic acid [(2R)-1-methoxypropan-2-yl] ester IUPAC Name: [(2R)-1-methoxypropan-2-yl] (E)-2-cyano-3-(4-ethyl-3-nitrophenyl)prop-2-enoate Traditional Name: (E)-2-cyano-3-(4-ethyl-3-nitro-phenyl)acrylic acid [(1R)-2-methoxy-1-methyl-ethyl] ester Formula: C16H18N2O5 MolecularWeight: 318.32452

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C=C1)C=C(C#N)C(=O)OC(C)COC)[N+](=O)[O-]

Isomeric SMILES

CCC1=C(C=C(C=C1)/C=C(\C#N)/C(=O)O[C@H](C)COC)[N+](=O)[O-]

InChI

InChI=1S/C16H18N2O5/c1-4-13-6-5-12(8-15(13)18(20)21)7-14(9-17)16(19)23-11(2)10-22-3/h5-8,11H,4,10H2,1-3H3/b14-7+/t11-/m1/s1