4-[(2-chloranyl-5-iodanyl-phenyl)carbonylamino]-2-(5-methyl-1,3-benzoxazol-2-yl)phenolate

Systemtic Name: 4-[(2-chloranyl-5-iodanyl-phenyl)carbonylamino]-2-(5-methyl-1,3-benzoxazol-2-yl)phenolate Openeye Name: 4-[(2-chloro-5-iodo-benzoyl)amino]-2-(5-methyl-1,3-benzoxazol-2-yl)phenolate CAS Name: 4-[[(2-chloro-5-iodophenyl)-oxomethyl]amino]-2-(5-methyl-1,3-benzoxazol-2-yl)phenolate IUPAC Name: 4-[(2-chloro-5-iodobenzoyl)amino]-2-(5-methyl-1,3-benzoxazol-2-yl)phenolate Traditional Name: 4-[(2-chloro-5-iodo-benzoyl)amino]-2-(5-methyl-1,3-benzoxazol-2-yl)phenolate Formula: C21H13ClIN2O3- MolecularWeight: 503.69699

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC(=N2)C3=C(C=CC(=C3)NC(=O)C4=C(C=CC(=C4)I)Cl)[O-]

Isomeric SMILES

CC1=CC2=C(C=C1)OC(=N2)C3=C(C=CC(=C3)NC(=O)C4=C(C=CC(=C4)I)Cl)[O-]

InChI

InChI=1S/C21H14ClIN2O3/c1-11-2-7-19-17(8-11)25-21(28-19)15-10-13(4-6-18(15)26)24-20(27)14-9-12(23)3-5-16(14)22/h2-10,26H,1H3,(H,24,27)/p-1