2-[2-[(2-chloranyl-4-iodanyl-phenyl)amino]ethylamino]-5-nitro-benzoic acid

Systemtic Name: 2-[2-[(2-chloranyl-4-iodanyl-phenyl)amino]ethylamino]-5-nitro-benzoic acid Openeye Name: 2-[2-(2-chloro-4-iodo-anilino)ethylamino]-5-nitro-benzoic acid CAS Name: 2-[2-(2-chloro-4-iodoanilino)ethylamino]-5-nitrobenzoic acid IUPAC Name: 2-[2-(2-chloro-4-iodoanilino)ethylamino]-5-nitrobenzoic acid Traditional Name: 2-[2-(2-chloro-4-iodo-anilino)ethylamino]-5-nitro-benzoic acid Formula: C15H13ClIN3O4 MolecularWeight: 461.63889

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1[N+](=O)[O-])C(=O)O)NCCNC2=C(C=C(C=C2)I)Cl

Isomeric SMILES

C1=CC(=C(C=C1[N+](=O)[O-])C(=O)O)NCCNC2=C(C=C(C=C2)I)Cl

InChI

InChI=1S/C15H13ClIN3O4/c16-12-7-9(17)1-3-14(12)19-6-5-18-13-4-2-10(20(23)24)8-11(13)15(21)22/h1-4,7-8,18-19H,5-6H2,(H,21,22)