[1-[(4-iodophenyl)amino]-1-oxidanylidene-butan-2-yl] 1,3-benzoxazole-6-carboxylate

Systemtic Name: [1-[(4-iodophenyl)amino]-1-oxidanylidene-butan-2-yl] 1,3-benzoxazole-6-carboxylate Openeye Name: 1-[(4-iodophenyl)carbamoyl]propyl 1,3-benzoxazole-6-carboxylate CAS Name: 1,3-benzoxazole-6-carboxylic acid [1-(4-iodoanilino)-1-oxobutan-2-yl] ester IUPAC Name: [1-(4-iodoanilino)-1-oxobutan-2-yl] 1,3-benzoxazole-6-carboxylate Traditional Name: 1,3-benzoxazole-6-carboxylic acid 1-[(4-iodophenyl)carbamoyl]propyl ester Formula: C18H15IN2O4 MolecularWeight: 450.22717

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=C(C=C1)I)OC(=O)C2=CC3=C(C=C2)N=CO3

Isomeric SMILES

CCC(C(=O)NC1=CC=C(C=C1)I)OC(=O)C2=CC3=C(C=C2)N=CO3

InChI

InChI=1S/C18H15IN2O4/c1-2-15(17(22)21-13-6-4-12(19)5-7-13)25-18(23)11-3-8-14-16(9-11)24-10-20-14/h3-10,15H,2H2,1H3,(H,21,22)