2-[(4-nitrophenyl)methyl]pent-4-enoic acid

Systemtic Name: 2-[(4-nitrophenyl)methyl]pent-4-enoic acid Openeye Name: 2-[(4-nitrophenyl)methyl]pent-4-enoic acid CAS Name: 2-[(4-nitrophenyl)methyl]-4-pentenoic acid IUPAC Name: 2-[(4-nitrophenyl)methyl]pent-4-enoic acid Traditional Name: 2-(4-nitrobenzyl)pent-4-enoic acid Formula: C12H13NO4 MolecularWeight: 235.23592

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13NO4/c1-2-3-10(12(14)15)8-9-4-6-11(7-5-9)13(16)17/h2,4-7,10H,1,3,8H2,(H,14,15)