2-[[2-[(3-iodanylphenyl)carbonylamino]phenyl]carbamoyl]-6-nitro-benzoic acid

Systemtic Name: 2-[[2-[(3-iodanylphenyl)carbonylamino]phenyl]carbamoyl]-6-nitro-benzoic acid Openeye Name: 2-[[2-[(3-iodobenzoyl)amino]phenyl]carbamoyl]-6-nitro-benzoic acid CAS Name: 2-[[2-[[(3-iodophenyl)-oxomethyl]amino]anilino]-oxomethyl]-6-nitrobenzoic acid IUPAC Name: 2-[[2-[(3-iodobenzoyl)amino]phenyl]carbamoyl]-6-nitrobenzoic acid Traditional Name: 2-[[2-[(3-iodobenzoyl)amino]phenyl]carbamoyl]-6-nitro-benzoic acid Formula: C21H14IN3O6 MolecularWeight: 531.25683

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)NC(=O)C2=CC(=CC=C2)I)NC(=O)C3=C(C(=CC=C3)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)NC(=O)C2=CC(=CC=C2)I)NC(=O)C3=C(C(=CC=C3)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C21H14IN3O6/c22-13-6-3-5-12(11-13)19(26)23-15-8-1-2-9-16(15)24-20(27)14-7-4-10-17(25(30)31)18(14)21(28)29/h1-11H,(H,23,26)(H,24,27)(H,28,29)