1-nitro-3-(pentan-2-yloxymethyl)benzene

Systemtic Name: 1-nitro-3-(pentan-2-yloxymethyl)benzene Openeye Name: 1-(1-methylbutoxymethyl)-3-nitro-benzene CAS Name: 1-nitro-3-(pentan-2-yloxymethyl)benzene IUPAC Name: 1-nitro-3-(pentan-2-yloxymethyl)benzene Traditional Name: 1-(1-methylbutoxymethyl)-3-nitro-benzene Formula: C12H17NO3 MolecularWeight: 223.26828

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17NO3/c1-3-5-10(2)16-9-11-6-4-7-12(8-11)13(14)15/h4,6-8,10H,3,5,9H2,1-2H3