2-[(4-nitrophenyl)methyl]butanoic acid

Systemtic Name: 2-[(4-nitrophenyl)methyl]butanoic acid Openeye Name: 2-[(4-nitrophenyl)methyl]butanoic acid CAS Name: 2-[(4-nitrophenyl)methyl]butanoic acid IUPAC Name: 2-[(4-nitrophenyl)methyl]butanoic acid Traditional Name: 2-(4-nitrobenzyl)butyric acid Formula: C11H13NO4 MolecularWeight: 223.22522

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H13NO4/c1-2-9(11(13)14)7-8-3-5-10(6-4-8)12(15)16/h3-6,9H,2,7H2,1H3,(H,13,14)