1-(4-ethoxyphenyl)-2-(6-nitro-1,3-benzodioxol-5-yl)ethane-1,2-dione

Systemtic Name: 1-(4-ethoxyphenyl)-2-(6-nitro-1,3-benzodioxol-5-yl)ethane-1,2-dione Openeye Name: 1-(4-ethoxyphenyl)-2-(6-nitro-1,3-benzodioxol-5-yl)ethane-1,2-dione CAS Name: 1-(4-ethoxyphenyl)-2-(6-nitro-1,3-benzodioxol-5-yl)ethane-1,2-dione IUPAC Name: 1-(4-ethoxyphenyl)-2-(6-nitro-1,3-benzodioxol-5-yl)ethane-1,2-dione Traditional Name: 1-(6-nitro-1,3-benzodioxol-5-yl)-2-p-phenetyl-ethane-1,2-dione Formula: C17H13NO7 MolecularWeight: 343.28762

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)C(=O)C2=CC3=C(C=C2[N+](=O)[O-])OCO3

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)C(=O)C2=CC3=C(C=C2[N+](=O)[O-])OCO3

InChI

InChI=1S/C17H13NO7/c1-2-23-11-5-3-10(4-6-11)16(19)17(20)12-7-14-15(25-9-24-14)8-13(12)18(21)22/h3-8H,2,9H2,1H3