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

Systemtic Name: methyl (2E,6Z,11E)-6-(3-methylbut-2-enylidene)-12-nitro-dodeca-2,11-dienoate Openeye Name: methyl (2E,6Z,11E)-6-(3-methylbut-2-enylidene)-12-nitro-dodeca-2,11-dienoate CAS Name: (2E,6Z,11E)-6-(3-methylbut-2-enylidene)-12-nitrododeca-2,11-dienoic acid methyl ester IUPAC Name: methyl (2E,6Z,11E)-6-(3-methylbut-2-enylidene)-12-nitrododeca-2,11-dienoate Traditional Name: (2E,6Z)-9-methyl-6-[(E)-6-nitrohex-5-enyl]deca-2,6,8-trienoic acid methyl ester Formula: C18H27NO4 MolecularWeight: 321.41128

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC=C(CCCCC=C[N+](=O)[O-])CCC=CC(=O)OC)C

Isomeric SMILES

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

InChI

InChI=1S/C18H27NO4/c1-16(2)13-14-17(11-7-8-12-18(20)23-3)10-6-4-5-9-15-19(21)22/h8-9,12-15H,4-7,10-11H2,1-3H3/b12-8+,15-9+,17-14-