4-chloranyl-2-methyl-5-nitro-1-phenyl-heptan-1-one

Systemtic Name: 4-chloranyl-2-methyl-5-nitro-1-phenyl-heptan-1-one Openeye Name: 4-chloro-2-methyl-5-nitro-1-phenyl-heptan-1-one CAS Name: 4-chloro-2-methyl-5-nitro-1-phenyl-1-heptanone IUPAC Name: 4-chloro-2-methyl-5-nitro-1-phenylheptan-1-one Traditional Name: 4-chloro-2-methyl-5-nitro-1-phenyl-heptan-1-one Formula: C14H18ClNO3 MolecularWeight: 283.75062

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18ClNO3/c1-3-13(16(18)19)12(15)9-10(2)14(17)11-7-5-4-6-8-11/h4-8,10,12-13H,3,9H2,1-2H3