3-methyl-4-nitro-2-(phenylmethyl)benzoic acid

Systemtic Name: 3-methyl-4-nitro-2-(phenylmethyl)benzoic acid Openeye Name: 2-benzyl-3-methyl-4-nitro-benzoic acid CAS Name: 3-methyl-4-nitro-2-(phenylmethyl)benzoic acid IUPAC Name: 2-benzyl-3-methyl-4-nitrobenzoic acid Traditional Name: 2-benzyl-3-methyl-4-nitro-benzoic acid Formula: C15H13NO4 MolecularWeight: 271.26802

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1CC2=CC=CC=C2)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1CC2=CC=CC=C2)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C15H13NO4/c1-10-13(9-11-5-3-2-4-6-11)12(15(17)18)7-8-14(10)16(19)20/h2-8H,9H2,1H3,(H,17,18)