1-(1,3-dinitropropan-2-yl)-2-ethyl-3,4-dimethoxy-benzene

Systemtic Name: 1-(1,3-dinitropropan-2-yl)-2-ethyl-3,4-dimethoxy-benzene Openeye Name: 3-ethyl-1,2-dimethoxy-4-[2-nitro-1-(nitromethyl)ethyl]benzene CAS Name: 1-(1,3-dinitropropan-2-yl)-2-ethyl-3,4-dimethoxybenzene IUPAC Name: 1-(1,3-dinitropropan-2-yl)-2-ethyl-3,4-dimethoxybenzene Traditional Name: 3-ethyl-1,2-dimethoxy-4-[2-nitro-1-(nitromethyl)ethyl]benzene Formula: C13H18N2O6 MolecularWeight: 298.29182

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1OC)OC)C(C[N+](=O)[O-])C[N+](=O)[O-]

Isomeric SMILES

CCC1=C(C=CC(=C1OC)OC)C(C[N+](=O)[O-])C[N+](=O)[O-]

InChI

InChI=1S/C13H18N2O6/c1-4-10-11(5-6-12(20-2)13(10)21-3)9(7-14(16)17)8-15(18)19/h5-6,9H,4,7-8H2,1-3H3