[[4-[(4-methylphenyl)carbonyldiazenyl]phenyl]amino] 2-iodanylbenzoate

Systemtic Name: [[4-[(4-methylphenyl)carbonyldiazenyl]phenyl]amino] 2-iodanylbenzoate Openeye Name: [4-(4-methylbenzoyl)azoanilino] 2-iodobenzoate CAS Name: 2-iodobenzoic acid [4-[(4-methylphenyl)-oxomethyl]azoanilino] ester IUPAC Name: [4-[(4-methylbenzoyl)diazenyl]anilino] 2-iodobenzoate Traditional Name: 2-iodobenzoic acid (4-p-toluoylazoanilino) ester Formula: C21H16IN3O3 MolecularWeight: 485.27451

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)N=NC2=CC=C(C=C2)NOC(=O)C3=CC=CC=C3I

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N=NC2=CC=C(C=C2)NOC(=O)C3=CC=CC=C3I

InChI

InChI=1S/C21H16IN3O3/c1-14-6-8-15(9-7-14)20(26)24-23-16-10-12-17(13-11-16)25-28-21(27)18-4-2-3-5-19(18)22/h2-13,25H,1H3