[1-[(2-bromophenyl)amino]-1-oxidanylidene-butan-2-yl] 3H-benzimidazole-5-carboxylate

Systemtic Name: [1-[(2-bromophenyl)amino]-1-oxidanylidene-butan-2-yl] 3H-benzimidazole-5-carboxylate Openeye Name: 1-[(2-bromophenyl)carbamoyl]propyl 3H-benzimidazole-5-carboxylate CAS Name: 3H-benzimidazole-5-carboxylic acid [1-(2-bromoanilino)-1-oxobutan-2-yl] ester IUPAC Name: [1-(2-bromoanilino)-1-oxobutan-2-yl] 3H-benzimidazole-5-carboxylate Traditional Name: 3H-benzimidazole-5-carboxylic acid 1-[(2-bromophenyl)carbamoyl]propyl ester Formula: C18H16BrN3O3 MolecularWeight: 402.24194

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=CC=C1Br)OC(=O)C2=CC3=C(C=C2)N=CN3

Isomeric SMILES

CCC(C(=O)NC1=CC=CC=C1Br)OC(=O)C2=CC3=C(C=C2)N=CN3

InChI

InChI=1S/C18H16BrN3O3/c1-2-16(17(23)22-13-6-4-3-5-12(13)19)25-18(24)11-7-8-14-15(9-11)21-10-20-14/h3-10,16H,2H2,1H3,(H,20,21)(H,22,23)