2-[iodanyl-(2-methylphenyl)amino]-4-nitro-benzoic acid

Systemtic Name: 2-[iodanyl-(2-methylphenyl)amino]-4-nitro-benzoic acid Openeye Name: 2-(N-iodo-2-methyl-anilino)-4-nitro-benzoic acid CAS Name: 2-(N-iodo-2-methylanilino)-4-nitrobenzoic acid IUPAC Name: 2-(N-iodo-2-methylanilino)-4-nitrobenzoic acid Traditional Name: 2-(N-iodo-2-methyl-anilino)-4-nitro-benzoic acid Formula: C14H11IN2O4 MolecularWeight: 398.15261

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N(C2=C(C=CC(=C2)[N+](=O)[O-])C(=O)O)I

Isomeric SMILES

CC1=CC=CC=C1N(C2=C(C=CC(=C2)[N+](=O)[O-])C(=O)O)I

InChI

InChI=1S/C14H11IN2O4/c1-9-4-2-3-5-12(9)16(15)13-8-10(17(20)21)6-7-11(13)14(18)19/h2-8H,1H3,(H,18,19)