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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)I)NC2=C(C=CC(=C2)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)I)NC2=C(C=CC(=C2)[N+](=O)[O-])C(=O)O

InChI

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