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

Systemtic Name: N-[[2-(diethylaminomethyl)phenyl]methyl]-2-(6-nitro-3-oxidanylidene-1,4-benzoxazin-4-yl)ethanamide Openeye Name: N-[[2-(diethylaminomethyl)phenyl]methyl]-2-(6-nitro-3-oxo-1,4-benzoxazin-4-yl)acetamide CAS Name: N-[[2-(diethylaminomethyl)phenyl]methyl]-2-(6-nitro-3-oxo-1,4-benzoxazin-4-yl)acetamide IUPAC Name: N-[[2-(diethylaminomethyl)phenyl]methyl]-2-(6-nitro-3-oxo-1,4-benzoxazin-4-yl)acetamide Traditional Name: N-[2-(diethylaminomethyl)benzyl]-2-(3-keto-6-nitro-1,4-benzoxazin-4-yl)acetamide Formula: C22H26N4O5 MolecularWeight: 426.46564

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC1=CC=CC=C1CNC(=O)CN2C(=O)COC3=C2C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)CC1=CC=CC=C1CNC(=O)CN2C(=O)COC3=C2C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H26N4O5/c1-3-24(4-2)13-17-8-6-5-7-16(17)12-23-21(27)14-25-19-11-18(26(29)30)9-10-20(19)31-15-22(25)28/h5-11H,3-4,12-15H2,1-2H3,(H,23,27)