(1-oxidanylidene-1-phenylazanyl-butan-2-yl) 4-bromanyl-1H-pyrrole-2-carboxylate

Systemtic Name: (1-oxidanylidene-1-phenylazanyl-butan-2-yl) 4-bromanyl-1H-pyrrole-2-carboxylate Openeye Name: 1-(phenylcarbamoyl)propyl 4-bromo-1H-pyrrole-2-carboxylate CAS Name: 4-bromo-1H-pyrrole-2-carboxylic acid (1-anilino-1-oxobutan-2-yl) ester IUPAC Name: (1-anilino-1-oxobutan-2-yl) 4-bromo-1H-pyrrole-2-carboxylate Traditional Name: 4-bromo-1H-pyrrole-2-carboxylic acid 1-(phenylcarbamoyl)propyl ester Formula: C15H15BrN2O3 MolecularWeight: 351.1952

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=CC=C1)OC(=O)C2=CC(=CN2)Br

Isomeric SMILES

CCC(C(=O)NC1=CC=CC=C1)OC(=O)C2=CC(=CN2)Br

InChI

InChI=1S/C15H15BrN2O3/c1-2-13(14(19)18-11-6-4-3-5-7-11)21-15(20)12-8-10(16)9-17-12/h3-9,13,17H,2H2,1H3,(H,18,19)