3-[(4-nitrophenyl)methyl]hex-5-enoic acid

Systemtic Name: 3-[(4-nitrophenyl)methyl]hex-5-enoic acid Openeye Name: 3-[(4-nitrophenyl)methyl]hex-5-enoic acid CAS Name: 3-[(4-nitrophenyl)methyl]-5-hexenoic acid IUPAC Name: 3-[(4-nitrophenyl)methyl]hex-5-enoic acid Traditional Name: 3-(4-nitrobenzyl)hex-5-enoic acid Formula: C13H15NO4 MolecularWeight: 249.2625

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15NO4/c1-2-3-11(9-13(15)16)8-10-4-6-12(7-5-10)14(17)18/h2,4-7,11H,1,3,8-9H2,(H,15,16)