[2-[(4-iodanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 2-(benzimidazol-1-yl)ethanoate

Systemtic Name: [2-[(4-iodanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 2-(benzimidazol-1-yl)ethanoate Openeye Name: [2-(4-iodo-2-methyl-anilino)-2-oxo-ethyl] 2-(benzimidazol-1-yl)acetate CAS Name: 2-(1-benzimidazolyl)acetic acid [2-(4-iodo-2-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-iodo-2-methylanilino)-2-oxoethyl] 2-(benzimidazol-1-yl)acetate Traditional Name: 2-(benzimidazol-1-yl)acetic acid [2-(4-iodo-2-methyl-anilino)-2-keto-ethyl] ester Formula: C18H16IN3O3 MolecularWeight: 449.24241

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)I)NC(=O)COC(=O)CN2C=NC3=CC=CC=C32

Isomeric SMILES

CC1=C(C=CC(=C1)I)NC(=O)COC(=O)CN2C=NC3=CC=CC=C32

InChI

InChI=1S/C18H16IN3O3/c1-12-8-13(19)6-7-14(12)21-17(23)10-25-18(24)9-22-11-20-15-4-2-3-5-16(15)22/h2-8,11H,9-10H2,1H3,(H,21,23)