2-[3-nitro-4-(phenylmethyl)phenyl]butanoic acid

Systemtic Name: 2-[3-nitro-4-(phenylmethyl)phenyl]butanoic acid Openeye Name: 2-(4-benzyl-3-nitro-phenyl)butanoic acid CAS Name: 2-[3-nitro-4-(phenylmethyl)phenyl]butanoic acid IUPAC Name: 2-(4-benzyl-3-nitrophenyl)butanoic acid Traditional Name: 2-(4-benzyl-3-nitro-phenyl)butyric acid Formula: C17H17NO4 MolecularWeight: 299.32118

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC(=C(C=C1)CC2=CC=CC=C2)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CCC(C1=CC(=C(C=C1)CC2=CC=CC=C2)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C17H17NO4/c1-2-15(17(19)20)13-8-9-14(16(11-13)18(21)22)10-12-6-4-3-5-7-12/h3-9,11,15H,2,10H2,1H3,(H,19,20)