1,4-dioxan-2-one; N-methyl-N-(2-methylphenyl)-4-nitro-benzamide

Systemtic Name: 1,4-dioxan-2-one; N-methyl-N-(2-methylphenyl)-4-nitro-benzamide Openeye Name: 1,4-dioxan-2-one; N-methyl-4-nitro-N-(o-tolyl)benzamide CAS Name: 1,4-dioxan-2-one; N-methyl-N-(2-methylphenyl)-4-nitrobenzamide IUPAC Name: 1,4-dioxan-2-one; N-methyl-N-(2-methylphenyl)-4-nitrobenzamide Traditional Name: 1,4-dioxan-2-one; N-methyl-4-nitro-N-(o-tolyl)benzamide Formula: C19H20N2O6 MolecularWeight: 372.3719

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N(C)C(=O)C2=CC=C(C=C2)[N+](=O)[O-].C1COC(=O)CO1

Isomeric SMILES

CC1=CC=CC=C1N(C)C(=O)C2=CC=C(C=C2)[N+](=O)[O-].C1COC(=O)CO1

InChI

InChI=1S/C15H14N2O3.C4H6O3/c1-11-5-3-4-6-14(11)16(2)15(18)12-7-9-13(10-8-12)17(19)20;5-4-3-6-1-2-7-4/h3-10H,1-2H3;1-3H2