2-methyl-4-(3-methylbutoxy)-1-nitro-benzene

Systemtic Name: 2-methyl-4-(3-methylbutoxy)-1-nitro-benzene Openeye Name: 4-isopentyloxy-2-methyl-1-nitro-benzene CAS Name: 2-methyl-4-(3-methylbutoxy)-1-nitrobenzene IUPAC Name: 2-methyl-4-(3-methylbutoxy)-1-nitrobenzene Traditional Name: 4-isoamoxy-2-methyl-1-nitro-benzene Formula: C12H17NO3 MolecularWeight: 223.26828

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCCC(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)OCCC(C)C)[N+](=O)[O-]

InChI

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