4-[(E)-but-1-enyl]-2-methyl-5-nitro-benzoyl chloride

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC=CC1=CC(=C(C=C1[N+](=O)[O-])C(=O)Cl)C

Isomeric SMILES

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

InChI

InChI=1S/C12H12ClNO3/c1-3-4-5-9-6-8(2)10(12(13)15)7-11(9)14(16)17/h4-7H,3H2,1-2H3/b5-4+