N-(1,4-dioxan-2-ylmethyl)-2-methyl-3-nitro-benzamide

Systemtic Name: N-(1,4-dioxan-2-ylmethyl)-2-methyl-3-nitro-benzamide Openeye Name: N-(1,4-dioxan-2-ylmethyl)-2-methyl-3-nitro-benzamide CAS Name: N-(1,4-dioxan-2-ylmethyl)-2-methyl-3-nitrobenzamide IUPAC Name: N-(1,4-dioxan-2-ylmethyl)-2-methyl-3-nitrobenzamide Traditional Name: N-(1,4-dioxan-2-ylmethyl)-2-methyl-3-nitro-benzamide Formula: C13H16N2O5 MolecularWeight: 280.27654

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NCC2COCCO2

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NCC2COCCO2

InChI

InChI=1S/C13H16N2O5/c1-9-11(3-2-4-12(9)15(17)18)13(16)14-7-10-8-19-5-6-20-10/h2-4,10H,5-8H2,1H3,(H,14,16)