(5-nitrobenzotriazol-1-yl)methyl N-[[4-[2-(dioxidanyl)ethylcarbamoylamino]phenyl]amino]carbamate

Systemtic Name: (5-nitrobenzotriazol-1-yl)methyl N-[[4-[2-(dioxidanyl)ethylcarbamoylamino]phenyl]amino]carbamate Openeye Name: (5-nitrobenzotriazol-1-yl)methyl N-[4-(2-hydroperoxyethylcarbamoylamino)anilino]carbamate CAS Name: N-[4-[[(2-hydroperoxyethylamino)-oxomethyl]amino]anilino]carbamic acid (5-nitro-1-benzotriazolyl)methyl ester IUPAC Name: (5-nitrobenzotriazol-1-yl)methyl N-[4-(2-hydroperoxyethylcarbamoylamino)anilino]carbamate Traditional Name: N-[4-(2-hydroperoxyethylcarbamoylamino)anilino]carbamic acid (5-nitrobenzotriazol-1-yl)methyl ester Formula: C17H18N8O7 MolecularWeight: 446.37422

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=O)NCCOO)NNC(=O)OCN2C3=C(C=C(C=C3)[N+](=O)[O-])N=N2

Isomeric SMILES

C1=CC(=CC=C1NC(=O)NCCOO)NNC(=O)OCN2C3=C(C=C(C=C3)[N+](=O)[O-])N=N2

InChI

InChI=1S/C17H18N8O7/c26-16(18-7-8-32-30)19-11-1-3-12(4-2-11)20-22-17(27)31-10-24-15-6-5-13(25(28)29)9-14(15)21-23-24/h1-6,9,20,30H,7-8,10H2,(H,22,27)(H2,18,19,26)