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

Systemtic Name: [1-[(2-bromophenyl)amino]-1-oxidanylidene-butan-2-yl] 1,3-benzoxazole-4-carboxylate Openeye Name: 1-[(2-bromophenyl)carbamoyl]propyl 1,3-benzoxazole-4-carboxylate CAS Name: 1,3-benzoxazole-4-carboxylic acid [1-(2-bromoanilino)-1-oxobutan-2-yl] ester IUPAC Name: [1-(2-bromoanilino)-1-oxobutan-2-yl] 1,3-benzoxazole-4-carboxylate Traditional Name: 1,3-benzoxazole-4-carboxylic acid 1-[(2-bromophenyl)carbamoyl]propyl ester Formula: C18H15BrN2O4 MolecularWeight: 403.2267

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=CC=C1Br)OC(=O)C2=C3C(=CC=C2)OC=N3

Isomeric SMILES

CCC(C(=O)NC1=CC=CC=C1Br)OC(=O)C2=C3C(=CC=C2)OC=N3

InChI

InChI=1S/C18H15BrN2O4/c1-2-14(17(22)21-13-8-4-3-7-12(13)19)25-18(23)11-6-5-9-15-16(11)20-10-24-15/h3-10,14H,2H2,1H3,(H,21,22)