2-bromoethyl 3-nitrobenzoate

Systemtic Name: 2-bromoethyl 3-nitrobenzoate Openeye Name: 2-bromoethyl 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid 2-bromoethyl ester IUPAC Name: 2-bromoethyl 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid 2-bromoethyl ester Formula: C9H8BrNO4 MolecularWeight: 274.06812

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OCCBr

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OCCBr

InChI

InChI=1S/C9H8BrNO4/c10-4-5-15-9(12)7-2-1-3-8(6-7)11(13)14/h1-3,6H,4-5H2