dimethyl-[[2-[[2-(6-nitro-3-oxidanylidene-1,4-benzoxazin-4-yl)ethanoylamino]methyl]phenyl]methyl]azanium

Systemtic Name: dimethyl-[[2-[[2-(6-nitro-3-oxidanylidene-1,4-benzoxazin-4-yl)ethanoylamino]methyl]phenyl]methyl]azanium Openeye Name: dimethyl-[[2-[[[2-(6-nitro-3-oxo-1,4-benzoxazin-4-yl)acetyl]amino]methyl]phenyl]methyl]ammonium CAS Name: dimethyl-[[2-[[[2-(6-nitro-3-oxo-1,4-benzoxazin-4-yl)-1-oxoethyl]amino]methyl]phenyl]methyl]ammonium IUPAC Name: dimethyl-[[2-[[[2-(6-nitro-3-oxo-1,4-benzoxazin-4-yl)acetyl]amino]methyl]phenyl]methyl]azanium Traditional Name: [2-[[[2-(3-keto-6-nitro-1,4-benzoxazin-4-yl)acetyl]amino]methyl]benzyl]-dimethyl-ammonium Formula: C20H23N4O5+ MolecularWeight: 399.42042

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N4O5/c1-22(2)11-15-6-4-3-5-14(15)10-21-19(25)12-23-17-9-16(24(27)28)7-8-18(17)29-13-20(23)26/h3-9H,10-13H2,1-2H3,(H,21,25)/p+1