4-[(E)-but-2-en-2-yl]-2-methyl-5-nitro-benzoyl chloride

Systemtic Name: 4-[(E)-but-2-en-2-yl]-2-methyl-5-nitro-benzoyl chloride Openeye Name: 2-methyl-4-[(E)-1-methylprop-1-enyl]-5-nitro-benzoyl chloride CAS Name: 4-[(E)-but-2-en-2-yl]-2-methyl-5-nitrobenzoyl chloride IUPAC Name: 4-[(E)-but-2-en-2-yl]-2-methyl-5-nitrobenzoyl chloride Traditional Name: 2-methyl-4-[(E)-1-methylprop-1-enyl]-5-nitro-benzoyl chloride Formula: C12H12ClNO3 MolecularWeight: 253.68158

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C/C=C(\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/h4-6H,1-3H3/b7-4+