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

Systemtic Name: diethyl-[[2-[[2-(6-nitro-2-oxidanylidene-1,3-benzoxazol-3-yl)ethanoylamino]methyl]phenyl]methyl]azanium Openeye Name: diethyl-[[2-[[[2-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]methyl]phenyl]methyl]ammonium CAS Name: diethyl-[[2-[[[2-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)-1-oxoethyl]amino]methyl]phenyl]methyl]ammonium IUPAC Name: diethyl-[[2-[[[2-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]methyl]phenyl]methyl]azanium Traditional Name: diethyl-[2-[[[2-(2-keto-6-nitro-1,3-benzoxazol-3-yl)acetyl]amino]methyl]benzyl]ammonium Formula: C21H25N4O5+ MolecularWeight: 413.447

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC1=CC=CC=C1CNC(=O)CN2C3=C(C=C(C=C3)[N+](=O)[O-])OC2=O

Isomeric SMILES

CC[NH+](CC)CC1=CC=CC=C1CNC(=O)CN2C3=C(C=C(C=C3)[N+](=O)[O-])OC2=O

InChI

InChI=1S/C21H24N4O5/c1-3-23(4-2)13-16-8-6-5-7-15(16)12-22-20(26)14-24-18-10-9-17(25(28)29)11-19(18)30-21(24)27/h5-11H,3-4,12-14H2,1-2H3,(H,22,26)/p+1