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

Systemtic Name: [(2R)-1-methoxypropan-2-yl] (E)-3-(4-bromanyl-3-nitro-phenyl)-2-cyano-prop-2-enoate Openeye Name: [(1R)-2-methoxy-1-methyl-ethyl] (E)-3-(4-bromo-3-nitro-phenyl)-2-cyano-prop-2-enoate CAS Name: (E)-3-(4-bromo-3-nitrophenyl)-2-cyano-2-propenoic acid [(2R)-1-methoxypropan-2-yl] ester IUPAC Name: [(2R)-1-methoxypropan-2-yl] (E)-3-(4-bromo-3-nitrophenyl)-2-cyanoprop-2-enoate Traditional Name: (E)-3-(4-bromo-3-nitro-phenyl)-2-cyano-acrylic acid [(1R)-2-methoxy-1-methyl-ethyl] ester Formula: C14H13BrN2O5 MolecularWeight: 369.16742

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Descriptors Computed from Structure

Canonical SMILES:

CC(COC)OC(=O)C(=CC1=CC(=C(C=C1)Br)[N+](=O)[O-])C#N

Isomeric SMILES

C[C@H](COC)OC(=O)/C(=C/C1=CC(=C(C=C1)Br)[N+](=O)[O-])/C#N

InChI

InChI=1S/C14H13BrN2O5/c1-9(8-21-2)22-14(18)11(7-16)5-10-3-4-12(15)13(6-10)17(19)20/h3-6,9H,8H2,1-2H3/b11-5+/t9-/m1/s1