1-chloranyl-4-nitro-2-(octan-2-yloxymethyl)benzene

Systemtic Name: 1-chloranyl-4-nitro-2-(octan-2-yloxymethyl)benzene Openeye Name: 1-chloro-2-(1-methylheptoxymethyl)-4-nitro-benzene CAS Name: 1-chloro-4-nitro-2-(octan-2-yloxymethyl)benzene IUPAC Name: 1-chloro-4-nitro-2-(octan-2-yloxymethyl)benzene Traditional Name: 1-chloro-2-(1-methylheptoxymethyl)-4-nitro-benzene Formula: C15H22ClNO3 MolecularWeight: 299.79308

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)OCC1=C(C=CC(=C1)[N+](=O)[O-])Cl

Isomeric SMILES

CCCCCCC(C)OCC1=C(C=CC(=C1)[N+](=O)[O-])Cl

InChI

InChI=1S/C15H22ClNO3/c1-3-4-5-6-7-12(2)20-11-13-10-14(17(18)19)8-9-15(13)16/h8-10,12H,3-7,11H2,1-2H3