2-nitro-5-(phenylmethyl)benzoic acid

Systemtic Name: 2-nitro-5-(phenylmethyl)benzoic acid Openeye Name: 5-benzyl-2-nitro-benzoic acid CAS Name: 2-nitro-5-(phenylmethyl)benzoic acid IUPAC Name: 5-benzyl-2-nitrobenzoic acid Traditional Name: 5-benzyl-2-nitro-benzoic acid Formula: C14H11NO4 MolecularWeight: 257.24144

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H11NO4/c16-14(17)12-9-11(6-7-13(12)15(18)19)8-10-4-2-1-3-5-10/h1-7,9H,8H2,(H,16,17)