4,5-dimethoxy-2-nitro-N-(3-oxidanylpropyl)benzamide

Systemtic Name: 4,5-dimethoxy-2-nitro-N-(3-oxidanylpropyl)benzamide Openeye Name: N-(3-hydroxypropyl)-4,5-dimethoxy-2-nitro-benzamide CAS Name: N-(3-hydroxypropyl)-4,5-dimethoxy-2-nitrobenzamide IUPAC Name: N-(3-hydroxypropyl)-4,5-dimethoxy-2-nitrobenzamide Traditional Name: N-(3-hydroxypropyl)-4,5-dimethoxy-2-nitro-benzamide Formula: C12H16N2O6 MolecularWeight: 284.26524

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)NCCCO)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)NCCCO)[N+](=O)[O-])OC

InChI

InChI=1S/C12H16N2O6/c1-19-10-6-8(12(16)13-4-3-5-15)9(14(17)18)7-11(10)20-2/h6-7,15H,3-5H2,1-2H3,(H,13,16)