2-(7-methoxy-1,3-benzodioxol-5-yl)-3,8,8-trimethyl-1-nitro-undecane-4,6-dione

Systemtic Name: 2-(7-methoxy-1,3-benzodioxol-5-yl)-3,8,8-trimethyl-1-nitro-undecane-4,6-dione Openeye Name: 2-(7-methoxy-1,3-benzodioxol-5-yl)-3,8,8-trimethyl-1-nitro-undecane-4,6-dione CAS Name: 2-(7-methoxy-1,3-benzodioxol-5-yl)-3,8,8-trimethyl-1-nitroundecane-4,6-dione IUPAC Name: 2-(7-methoxy-1,3-benzodioxol-5-yl)-3,8,8-trimethyl-1-nitroundecane-4,6-dione Traditional Name: 2-(7-methoxy-1,3-benzodioxol-5-yl)-3,8,8-trimethyl-1-nitro-undecane-4,6-dione Formula: C22H31NO7 MolecularWeight: 421.48404

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H31NO7/c1-6-7-22(3,4)11-16(24)10-18(25)14(2)17(12-23(26)27)15-8-19(28-5)21-20(9-15)29-13-30-21/h8-9,14,17H,6-7,10-13H2,1-5H3