(4-butyl-2-methyl-phenyl)-(2-chloranyl-4-nitro-phenyl)methanone

Systemtic Name: (4-butyl-2-methyl-phenyl)-(2-chloranyl-4-nitro-phenyl)methanone Openeye Name: (4-butyl-2-methyl-phenyl)-(2-chloro-4-nitro-phenyl)methanone CAS Name: (4-butyl-2-methylphenyl)-(2-chloro-4-nitrophenyl)methanone IUPAC Name: (4-butyl-2-methylphenyl)-(2-chloro-4-nitrophenyl)methanone Traditional Name: (4-butyl-2-methyl-phenyl)-(2-chloro-4-nitro-phenyl)methanone Formula: C18H18ClNO3 MolecularWeight: 331.79342

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=C(C=C1)C(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl)C

Isomeric SMILES

CCCCC1=CC(=C(C=C1)C(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl)C

InChI

InChI=1S/C18H18ClNO3/c1-3-4-5-13-6-8-15(12(2)10-13)18(21)16-9-7-14(20(22)23)11-17(16)19/h6-11H,3-5H2,1-2H3