N-[(3,4-dimethoxyphenyl)methyl]-5-nitro-2-[(2-oxidanylidene-1,3-dioxan-5-yl)amino]benzamide

Systemtic Name: N-[(3,4-dimethoxyphenyl)methyl]-5-nitro-2-[(2-oxidanylidene-1,3-dioxan-5-yl)amino]benzamide Openeye Name: N-[(3,4-dimethoxyphenyl)methyl]-5-nitro-2-[(2-oxo-1,3-dioxan-5-yl)amino]benzamide CAS Name: N-[(3,4-dimethoxyphenyl)methyl]-5-nitro-2-[(2-oxo-1,3-dioxan-5-yl)amino]benzamide IUPAC Name: N-[(3,4-dimethoxyphenyl)methyl]-5-nitro-2-[(2-oxo-1,3-dioxan-5-yl)amino]benzamide Traditional Name: 2-[(2-keto-1,3-dioxan-5-yl)amino]-5-nitro-N-veratryl-benzamide Formula: C20H21N3O8 MolecularWeight: 431.39604

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NC3COC(=O)OC3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NC3COC(=O)OC3)OC

InChI

InChI=1S/C20H21N3O8/c1-28-17-6-3-12(7-18(17)29-2)9-21-19(24)15-8-14(23(26)27)4-5-16(15)22-13-10-30-20(25)31-11-13/h3-8,13,22H,9-11H2,1-2H3,(H,21,24)