3-(2-methylphenyl)-4-nitro-benzoic acid

Systemtic Name: 3-(2-methylphenyl)-4-nitro-benzoic acid Openeye Name: 4-nitro-3-(o-tolyl)benzoic acid CAS Name: 3-(2-methylphenyl)-4-nitrobenzoic acid IUPAC Name: 3-(2-methylphenyl)-4-nitrobenzoic acid Traditional Name: 4-nitro-3-(o-tolyl)benzoic acid Formula: C14H11NO4 MolecularWeight: 257.24144

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=C(C=CC(=C2)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1C2=C(C=CC(=C2)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C14H11NO4/c1-9-4-2-3-5-11(9)12-8-10(14(16)17)6-7-13(12)15(18)19/h2-8H,1H3,(H,16,17)