[1-[(4-iodophenyl)amino]-1-oxidanylidene-propan-2-yl] 8-(1,3-benzoxazol-2-yl)naphthalene-1-carboxylate

Systemtic Name: [1-[(4-iodophenyl)amino]-1-oxidanylidene-propan-2-yl] 8-(1,3-benzoxazol-2-yl)naphthalene-1-carboxylate Openeye Name: [2-(4-iodoanilino)-1-methyl-2-oxo-ethyl] 8-(1,3-benzoxazol-2-yl)naphthalene-1-carboxylate CAS Name: 8-(1,3-benzoxazol-2-yl)-1-naphthalenecarboxylic acid [1-(4-iodoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-iodoanilino)-1-oxopropan-2-yl] 8-(1,3-benzoxazol-2-yl)naphthalene-1-carboxylate Traditional Name: 8-(1,3-benzoxazol-2-yl)naphthalene-1-carboxylic acid [2-(4-iodoanilino)-2-keto-1-methyl-ethyl] ester Formula: C27H19IN2O4 MolecularWeight: 562.35523

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)I)OC(=O)C2=CC=CC3=C2C(=CC=C3)C4=NC5=CC=CC=C5O4

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)I)OC(=O)C2=CC=CC3=C2C(=CC=C3)C4=NC5=CC=CC=C5O4

InChI

InChI=1S/C27H19IN2O4/c1-16(25(31)29-19-14-12-18(28)13-15-19)33-27(32)21-9-5-7-17-6-4-8-20(24(17)21)26-30-22-10-2-3-11-23(22)34-26/h2-16H,1H3,(H,29,31)