methyl 2-[3,3-bis(chloranyl)-3-nitro-propyl]-3-methoxy-benzoate

Systemtic Name: methyl 2-[3,3-bis(chloranyl)-3-nitro-propyl]-3-methoxy-benzoate Openeye Name: methyl 2-(3,3-dichloro-3-nitro-propyl)-3-methoxy-benzoate CAS Name: 2-(3,3-dichloro-3-nitropropyl)-3-methoxybenzoic acid methyl ester IUPAC Name: methyl 2-(3,3-dichloro-3-nitropropyl)-3-methoxybenzoate Traditional Name: 2-(3,3-dichloro-3-nitro-propyl)-3-methoxy-benzoic acid methyl ester Formula: C12H13Cl2NO5 MolecularWeight: 322.14132

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1CCC([N+](=O)[O-])(Cl)Cl)C(=O)OC

Isomeric SMILES

COC1=CC=CC(=C1CCC([N+](=O)[O-])(Cl)Cl)C(=O)OC

InChI

InChI=1S/C12H13Cl2NO5/c1-19-10-5-3-4-9(11(16)20-2)8(10)6-7-12(13,14)15(17)18/h3-5H,6-7H2,1-2H3