1,3-bis(chloranyl)propan-2-yl 4-nitrobenzoate

Systemtic Name: 1,3-bis(chloranyl)propan-2-yl 4-nitrobenzoate Openeye Name: [2-chloro-1-(chloromethyl)ethyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid 1,3-dichloropropan-2-yl ester IUPAC Name: 1,3-dichloropropan-2-yl 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [2-chloro-1-(chloromethyl)ethyl] ester Formula: C10H9Cl2NO4 MolecularWeight: 278.08876

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)OC(CCl)CCl)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C(=O)OC(CCl)CCl)[N+](=O)[O-]

InChI

InChI=1S/C10H9Cl2NO4/c11-5-9(6-12)17-10(14)7-1-3-8(4-2-7)13(15)16/h1-4,9H,5-6H2