N-(2-azanyl-2-oxidanylidene-ethyl)-4-[[3-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)propanoylamino]methyl]benzamide

Systemtic Name: N-(2-azanyl-2-oxidanylidene-ethyl)-4-[[3-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)propanoylamino]methyl]benzamide Openeye Name: N-(2-amino-2-oxo-ethyl)-4-[[3-(4-oxo-1,2,3-benzotriazin-3-yl)propanoylamino]methyl]benzamide CAS Name: N-(2-amino-2-oxoethyl)-4-[[[1-oxo-3-(4-oxo-1,2,3-benzotriazin-3-yl)propyl]amino]methyl]benzamide IUPAC Name: N-(2-amino-2-oxoethyl)-4-[[3-(4-oxo-1,2,3-benzotriazin-3-yl)propanoylamino]methyl]benzamide Traditional Name: N-(2-amino-2-keto-ethyl)-4-[[3-(4-keto-1,2,3-benzotriazin-3-yl)propanoylamino]methyl]benzamide Formula: C20H20N6O4 MolecularWeight: 408.4106

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(N=N2)CCC(=O)NCC3=CC=C(C=C3)C(=O)NCC(=O)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(N=N2)CCC(=O)NCC3=CC=C(C=C3)C(=O)NCC(=O)N

InChI

InChI=1S/C20H20N6O4/c21-17(27)12-23-19(29)14-7-5-13(6-8-14)11-22-18(28)9-10-26-20(30)15-3-1-2-4-16(15)24-25-26/h1-8H,9-12H2,(H2,21,27)(H,22,28)(H,23,29)