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

Systemtic Name: 1-methyl-2-nitro-3-(pentoxymethyl)benzene Openeye Name: 1-methyl-2-nitro-3-(pentoxymethyl)benzene CAS Name: 1-methyl-2-nitro-3-(pentoxymethyl)benzene IUPAC Name: 1-methyl-2-nitro-3-(pentoxymethyl)benzene Traditional Name: 1-(amoxymethyl)-3-methyl-2-nitro-benzene Formula: C13H19NO3 MolecularWeight: 237.29486

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOCC1=CC=CC(=C1[N+](=O)[O-])C

Isomeric SMILES

CCCCCOCC1=CC=CC(=C1[N+](=O)[O-])C

InChI

InChI=1S/C13H19NO3/c1-3-4-5-9-17-10-12-8-6-7-11(2)13(12)14(15)16/h6-8H,3-5,9-10H2,1-2H3