2-[(4-nitrophenyl)methyl]hexa-4,5-dienoic acid

Systemtic Name: 2-[(4-nitrophenyl)methyl]hexa-4,5-dienoic acid Openeye Name: 2-[(4-nitrophenyl)methyl]hexa-4,5-dienoic acid CAS Name: 2-[(4-nitrophenyl)methyl]hexa-4,5-dienoic acid IUPAC Name: 2-[(4-nitrophenyl)methyl]hexa-4,5-dienoic acid Traditional Name: 2-(4-nitrobenzyl)hexa-4,5-dienoic acid Formula: C13H13NO4 MolecularWeight: 247.24662

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13NO4/c1-2-3-4-11(13(15)16)9-10-5-7-12(8-6-10)14(17)18/h3,5-8,11H,1,4,9H2,(H,15,16)