3-cyanopropyl 4-bromanyl-1H-pyrrole-2-carboxylate

Systemtic Name: 3-cyanopropyl 4-bromanyl-1H-pyrrole-2-carboxylate Openeye Name: 3-cyanopropyl 4-bromo-1H-pyrrole-2-carboxylate CAS Name: 4-bromo-1H-pyrrole-2-carboxylic acid 3-cyanopropyl ester IUPAC Name: 3-cyanopropyl 4-bromo-1H-pyrrole-2-carboxylate Traditional Name: 4-bromo-1H-pyrrole-2-carboxylic acid 3-cyanopropyl ester Formula: C9H9BrN2O2 MolecularWeight: 257.08396

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(NC=C1Br)C(=O)OCCCC#N

Isomeric SMILES

C1=C(NC=C1Br)C(=O)OCCCC#N

InChI

InChI=1S/C9H9BrN2O2/c10-7-5-8(12-6-7)9(13)14-4-2-1-3-11/h5-6,12H,1-2,4H2