methyl (2E,5S,7E)-8-(2-nitrophenyl)-5-oxidanyl-octa-2,7-dienoate

Systemtic Name: methyl (2E,5S,7E)-8-(2-nitrophenyl)-5-oxidanyl-octa-2,7-dienoate Openeye Name: methyl (2E,5S,7E)-5-hydroxy-8-(2-nitrophenyl)octa-2,7-dienoate CAS Name: (2E,5S,7E)-5-hydroxy-8-(2-nitrophenyl)octa-2,7-dienoic acid methyl ester IUPAC Name: methyl (2E,5S,7E)-5-hydroxy-8-(2-nitrophenyl)octa-2,7-dienoate Traditional Name: (2E,5S,7E)-5-hydroxy-8-(2-nitrophenyl)octa-2,7-dienoic acid methyl ester Formula: C15H17NO5 MolecularWeight: 291.29918

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C=CCC(CC=CC1=CC=CC=C1[N+](=O)[O-])O

Isomeric SMILES

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

InChI

InChI=1S/C15H17NO5/c1-21-15(18)11-5-9-13(17)8-4-7-12-6-2-3-10-14(12)16(19)20/h2-7,10-11,13,17H,8-9H2,1H3/b7-4+,11-5+/t13-/m0/s1