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

Systemtic Name: diethyl-[[4-[[2-(6-nitro-3-oxidanylidene-1,4-benzoxazin-4-yl)ethanoylamino]methyl]phenyl]methyl]azanium Openeye Name: diethyl-[[4-[[[2-(6-nitro-3-oxo-1,4-benzoxazin-4-yl)acetyl]amino]methyl]phenyl]methyl]ammonium CAS Name: diethyl-[[4-[[[2-(6-nitro-3-oxo-1,4-benzoxazin-4-yl)-1-oxoethyl]amino]methyl]phenyl]methyl]ammonium IUPAC Name: diethyl-[[4-[[[2-(6-nitro-3-oxo-1,4-benzoxazin-4-yl)acetyl]amino]methyl]phenyl]methyl]azanium Traditional Name: diethyl-[4-[[[2-(3-keto-6-nitro-1,4-benzoxazin-4-yl)acetyl]amino]methyl]benzyl]ammonium Formula: C22H27N4O5+ MolecularWeight: 427.47358

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC1=CC=C(C=C1)CNC(=O)CN2C(=O)COC3=C2C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC[NH+](CC)CC1=CC=C(C=C1)CNC(=O)CN2C(=O)COC3=C2C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H26N4O5/c1-3-24(4-2)13-17-7-5-16(6-8-17)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)/p+1