4-but-1-en-2-yl-2-methyl-5-nitro-benzoyl chloride

Systemtic Name: 4-but-1-en-2-yl-2-methyl-5-nitro-benzoyl chloride Openeye Name: 2-methyl-4-(1-methylenepropyl)-5-nitro-benzoyl chloride CAS Name: 4-but-1-en-2-yl-2-methyl-5-nitrobenzoyl chloride IUPAC Name: 4-but-1-en-2-yl-2-methyl-5-nitrobenzoyl chloride Traditional Name: 4-(1-ethylvinyl)-2-methyl-5-nitro-benzoyl chloride Formula: C12H12ClNO3 MolecularWeight: 253.68158

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12ClNO3/c1-4-7(2)9-5-8(3)10(12(13)15)6-11(9)14(16)17/h5-6H,2,4H2,1,3H3