methyl 2-butoxy-5-chloranyl-3-nitro-benzoate

Systemtic Name: methyl 2-butoxy-5-chloranyl-3-nitro-benzoate Openeye Name: methyl 2-butoxy-5-chloro-3-nitro-benzoate CAS Name: 2-butoxy-5-chloro-3-nitrobenzoic acid methyl ester IUPAC Name: methyl 2-butoxy-5-chloro-3-nitrobenzoate Traditional Name: 2-butoxy-5-chloro-3-nitro-benzoic acid methyl ester Formula: C12H14ClNO5 MolecularWeight: 287.69626

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1C(=O)OC)Cl)[N+](=O)[O-]

Isomeric SMILES

CCCCOC1=C(C=C(C=C1C(=O)OC)Cl)[N+](=O)[O-]

InChI

InChI=1S/C12H14ClNO5/c1-3-4-5-19-11-9(12(15)18-2)6-8(13)7-10(11)14(16)17/h6-7H,3-5H2,1-2H3