2-methyl-1-(3-methylbutoxy)-3-nitro-benzene

Systemtic Name: 2-methyl-1-(3-methylbutoxy)-3-nitro-benzene Openeye Name: 1-isopentyloxy-2-methyl-3-nitro-benzene CAS Name: 2-methyl-1-(3-methylbutoxy)-3-nitrobenzene IUPAC Name: 2-methyl-1-(3-methylbutoxy)-3-nitrobenzene Traditional Name: 1-isoamoxy-2-methyl-3-nitro-benzene Formula: C12H17NO3 MolecularWeight: 223.26828

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1OCCC(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC=C1OCCC(C)C)[N+](=O)[O-]

InChI

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