methyl (E,2R)-2-methoxy-4-nitro-2-phenyl-but-3-enoate

Systemtic Name: methyl (E,2R)-2-methoxy-4-nitro-2-phenyl-but-3-enoate Openeye Name: methyl (E,2R)-2-methoxy-4-nitro-2-phenyl-but-3-enoate CAS Name: (E,2R)-2-methoxy-4-nitro-2-phenyl-3-butenoic acid methyl ester IUPAC Name: methyl (E,2R)-2-methoxy-4-nitro-2-phenylbut-3-enoate Traditional Name: (E,2R)-2-methoxy-4-nitro-2-phenyl-but-3-enoic acid methyl ester Formula: C12H13NO5 MolecularWeight: 251.23532

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13NO5/c1-17-11(14)12(18-2,8-9-13(15)16)10-6-4-3-5-7-10/h3-9H,1-2H3/b9-8+/t12-/m1/s1