[2-(7-ethyl-1H-indol-3-yl)-2-oxidanylidene-ethyl] 3-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)propanoate

Systemtic Name: [2-(7-ethyl-1H-indol-3-yl)-2-oxidanylidene-ethyl] 3-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)propanoate Openeye Name: [2-(7-ethyl-1H-indol-3-yl)-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 [2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] ester IUPAC Name: [2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 3-(4-oxo-1,2,3-benzotriazin-3-yl)propanoate Traditional Name: 3-(4-keto-1,2,3-benzotriazin-3-yl)propionic acid [2-(7-ethyl-1H-indol-3-yl)-2-keto-ethyl] ester Formula: C22H20N4O4 MolecularWeight: 404.4186

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC2=C1NC=C2C(=O)COC(=O)CCN3C(=O)C4=CC=CC=C4N=N3

Isomeric SMILES

CCC1=CC=CC2=C1NC=C2C(=O)COC(=O)CCN3C(=O)C4=CC=CC=C4N=N3

InChI

InChI=1S/C22H20N4O4/c1-2-14-6-5-8-15-17(12-23-21(14)15)19(27)13-30-20(28)10-11-26-22(29)16-7-3-4-9-18(16)24-25-26/h3-9,12,23H,2,10-11,13H2,1H3