2-chloranyl-4,5-bis(1-nitroethyl)benzoate

Systemtic Name: 2-chloranyl-4,5-bis(1-nitroethyl)benzoate Openeye Name: 2-chloro-4,5-bis(1-nitroethyl)benzoate CAS Name: 2-chloro-4,5-bis(1-nitroethyl)benzoate IUPAC Name: 2-chloro-4,5-bis(1-nitroethyl)benzoate Traditional Name: 2-chloro-4,5-bis(1-nitroethyl)benzoate Formula: C11H10ClN2O6- MolecularWeight: 301.6599

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H11ClN2O6/c1-5(13(17)18)7-3-9(11(15)16)10(12)4-8(7)6(2)14(19)20/h3-6H,1-2H3,(H,15,16)/p-1