2-(7-methoxy-1,3-benzodioxol-5-yl)-3,6,6-trimethyl-1-nitro-nonan-4-one

Systemtic Name: 2-(7-methoxy-1,3-benzodioxol-5-yl)-3,6,6-trimethyl-1-nitro-nonan-4-one Openeye Name: 2-(7-methoxy-1,3-benzodioxol-5-yl)-3,6,6-trimethyl-1-nitro-nonan-4-one CAS Name: 2-(7-methoxy-1,3-benzodioxol-5-yl)-3,6,6-trimethyl-1-nitro-4-nonanone IUPAC Name: 2-(7-methoxy-1,3-benzodioxol-5-yl)-3,6,6-trimethyl-1-nitrononan-4-one Traditional Name: 2-(7-methoxy-1,3-benzodioxol-5-yl)-3,6,6-trimethyl-1-nitro-nonan-4-one Formula: C20H29NO6 MolecularWeight: 379.44736

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)(C)CC(=O)C(C)C(C[N+](=O)[O-])C1=CC2=C(C(=C1)OC)OCO2

Isomeric SMILES

CCCC(C)(C)CC(=O)C(C)C(C[N+](=O)[O-])C1=CC2=C(C(=C1)OC)OCO2

InChI

InChI=1S/C20H29NO6/c1-6-7-20(3,4)10-16(22)13(2)15(11-21(23)24)14-8-17(25-5)19-18(9-14)26-12-27-19/h8-9,13,15H,6-7,10-12H2,1-5H3