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

Systemtic Name: [1-[(4-iodophenyl)amino]-1-oxidanylidene-butan-2-yl] 1,3-benzoxazole-4-carboxylate Openeye Name: 1-[(4-iodophenyl)carbamoyl]propyl 1,3-benzoxazole-4-carboxylate CAS Name: 1,3-benzoxazole-4-carboxylic acid [1-(4-iodoanilino)-1-oxobutan-2-yl] ester IUPAC Name: [1-(4-iodoanilino)-1-oxobutan-2-yl] 1,3-benzoxazole-4-carboxylate Traditional Name: 1,3-benzoxazole-4-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=C3C(=CC=C2)OC=N3

Isomeric SMILES

CCC(C(=O)NC1=CC=C(C=C1)I)OC(=O)C2=C3C(=CC=C2)OC=N3

InChI

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