4-but-3-enyl-2-methyl-5-nitro-benzoyl chloride

Systemtic Name: 4-but-3-enyl-2-methyl-5-nitro-benzoyl chloride Openeye Name: 4-but-3-enyl-2-methyl-5-nitro-benzoyl chloride CAS Name: 4-but-3-enyl-2-methyl-5-nitrobenzoyl chloride IUPAC Name: 4-but-3-enyl-2-methyl-5-nitrobenzoyl chloride Traditional Name: 4-but-3-enyl-2-methyl-5-nitro-benzoyl chloride Formula: C12H12ClNO3 MolecularWeight: 253.68158

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C(=O)Cl)[N+](=O)[O-])CCC=C

Isomeric SMILES

CC1=CC(=C(C=C1C(=O)Cl)[N+](=O)[O-])CCC=C

InChI

InChI=1S/C12H12ClNO3/c1-3-4-5-9-6-8(2)10(12(13)15)7-11(9)14(16)17/h3,6-7H,1,4-5H2,2H3