N-[(3,4-dimethoxyphenyl)methyl]-2-(6-nitro-3-oxidanylidene-1,4-benzoxazin-4-yl)ethanamide

Systemtic Name: N-[(3,4-dimethoxyphenyl)methyl]-2-(6-nitro-3-oxidanylidene-1,4-benzoxazin-4-yl)ethanamide Openeye Name: N-[(3,4-dimethoxyphenyl)methyl]-2-(6-nitro-3-oxo-1,4-benzoxazin-4-yl)acetamide CAS Name: N-[(3,4-dimethoxyphenyl)methyl]-2-(6-nitro-3-oxo-1,4-benzoxazin-4-yl)acetamide IUPAC Name: N-[(3,4-dimethoxyphenyl)methyl]-2-(6-nitro-3-oxo-1,4-benzoxazin-4-yl)acetamide Traditional Name: 2-(3-keto-6-nitro-1,4-benzoxazin-4-yl)-N-veratryl-acetamide Formula: C19H19N3O7 MolecularWeight: 401.37006

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=O)CN2C(=O)COC3=C2C=C(C=C3)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=O)CN2C(=O)COC3=C2C=C(C=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C19H19N3O7/c1-27-16-5-3-12(7-17(16)28-2)9-20-18(23)10-21-14-8-13(22(25)26)4-6-15(14)29-11-19(21)24/h3-8H,9-11H2,1-2H3,(H,20,23)