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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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