[1-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl] 3-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)propanoate

Systemtic Name: [1-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl] 3-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)propanoate Openeye Name: [2-(1H-indol-3-yl)-1-methyl-2-oxo-ethyl] 3-(4-oxo-1,2,3-benzotriazin-3-yl)propanoate CAS Name: 3-(4-oxo-1,2,3-benzotriazin-3-yl)propanoic acid [1-(1H-indol-3-yl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(1H-indol-3-yl)-1-oxopropan-2-yl] 3-(4-oxo-1,2,3-benzotriazin-3-yl)propanoate Traditional Name: 3-(4-keto-1,2,3-benzotriazin-3-yl)propionic acid [2-(1H-indol-3-yl)-2-keto-1-methyl-ethyl] ester Formula: C21H18N4O4 MolecularWeight: 390.39202

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CNC2=CC=CC=C21)OC(=O)CCN3C(=O)C4=CC=CC=C4N=N3

Isomeric SMILES

CC(C(=O)C1=CNC2=CC=CC=C21)OC(=O)CCN3C(=O)C4=CC=CC=C4N=N3

InChI

InChI=1S/C21H18N4O4/c1-13(20(27)16-12-22-17-8-4-2-6-14(16)17)29-19(26)10-11-25-21(28)15-7-3-5-9-18(15)23-24-25/h2-9,12-13,22H,10-11H2,1H3