ethyl 5-bromanyl-1,2-dimethyl-4-(phenylmethoxycarbonylamino)pyrrole-3-carboxylate

Systemtic Name: ethyl 5-bromanyl-1,2-dimethyl-4-(phenylmethoxycarbonylamino)pyrrole-3-carboxylate Openeye Name: ethyl 4-(benzyloxycarbonylamino)-5-bromo-1,2-dimethyl-pyrrole-3-carboxylate CAS Name: 5-bromo-1,2-dimethyl-4-(phenylmethoxycarbonylamino)-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-bromo-1,2-dimethyl-4-(phenylmethoxycarbonylamino)pyrrole-3-carboxylate Traditional Name: 4-(benzyloxycarbonylamino)-5-bromo-1,2-dimethyl-pyrrole-3-carboxylic acid ethyl ester Formula: C17H19BrN2O4 MolecularWeight: 395.24776

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=C1NC(=O)OCC2=CC=CC=C2)Br)C)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=C1NC(=O)OCC2=CC=CC=C2)Br)C)C

InChI

InChI=1S/C17H19BrN2O4/c1-4-23-16(21)13-11(2)20(3)15(18)14(13)19-17(22)24-10-12-8-6-5-7-9-12/h5-9H,4,10H2,1-3H3,(H,19,22)