methyl (2E,6Z,11E)-12-nitro-6-[(E)-3-phenylprop-2-enylidene]dodeca-2,11-dienoate

Systemtic Name: methyl (2E,6Z,11E)-12-nitro-6-[(E)-3-phenylprop-2-enylidene]dodeca-2,11-dienoate Openeye Name: methyl (2E,6Z,11E)-12-nitro-6-[(E)-3-phenylprop-2-enylidene]dodeca-2,11-dienoate CAS Name: (2E,6Z,11E)-12-nitro-6-[(E)-3-phenylprop-2-enylidene]dodeca-2,11-dienoic acid methyl ester IUPAC Name: methyl (2E,6Z,11E)-12-nitro-6-[(E)-3-phenylprop-2-enylidene]dodeca-2,11-dienoate Traditional Name: (2E,6Z,8E)-6-[(E)-6-nitrohex-5-enyl]-9-phenyl-nona-2,6,8-trienoic acid methyl ester Formula: C22H27NO4 MolecularWeight: 369.45408

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

COC(=O)/C=C/CC/C(=C\C=C\C1=CC=CC=C1)/CCCC/C=C/[N+](=O)[O-]

InChI

InChI=1S/C22H27NO4/c1-27-22(24)18-9-8-15-21(12-5-2-3-10-19-23(25)26)17-11-16-20-13-6-4-7-14-20/h4,6-7,9-11,13-14,16-19H,2-3,5,8,12,15H2,1H3/b16-11+,18-9+,19-10+,21-17-