methyl (E,4S)-5-(4-methoxyphenyl)-4-nitrooxy-pent-2-enoate

Systemtic Name: methyl (E,4S)-5-(4-methoxyphenyl)-4-nitrooxy-pent-2-enoate Openeye Name: methyl (E,4S)-5-(4-methoxyphenyl)-4-nitrooxy-pent-2-enoate CAS Name: (E,4S)-5-(4-methoxyphenyl)-4-nitrooxy-2-pentenoic acid methyl ester IUPAC Name: methyl (E,4S)-5-(4-methoxyphenyl)-4-nitrooxypent-2-enoate Traditional Name: (E,4S)-5-(4-methoxyphenyl)-4-nitrooxy-pent-2-enoic acid methyl ester Formula: C13H15NO6 MolecularWeight: 281.2613

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CC(C=CC(=O)OC)O[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)C[C@@H](/C=C/C(=O)OC)O[N+](=O)[O-]

InChI

InChI=1S/C13H15NO6/c1-18-11-5-3-10(4-6-11)9-12(20-14(16)17)7-8-13(15)19-2/h3-8,12H,9H2,1-2H3/b8-7+/t12-/m1/s1