2-methoxybutanoyl 4-chloranyl-3-nitro-benzoate

Systemtic Name: 2-methoxybutanoyl 4-chloranyl-3-nitro-benzoate Openeye Name: 2-methoxybutanoyl 4-chloro-3-nitro-benzoate CAS Name: 4-chloro-3-nitrobenzoic acid (2-methoxy-1-oxobutyl) ester IUPAC Name: 2-methoxybutanoyl 4-chloro-3-nitrobenzoate Traditional Name: 4-chloro-3-nitro-benzoic acid 2-methoxybutanoyl ester Formula: C12H12ClNO6 MolecularWeight: 301.67978

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12ClNO6/c1-3-10(19-2)12(16)20-11(15)7-4-5-8(13)9(6-7)14(17)18/h4-6,10H,3H2,1-2H3