(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 3-(3-oxidanylidene-4-phenethyl-quinoxalin-2-yl)propanoate

Systemtic Name: (4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 3-(3-oxidanylidene-4-phenethyl-quinoxalin-2-yl)propanoate Openeye Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 3-(3-oxo-4-phenethyl-quinoxalin-2-yl)propanoate CAS Name: 3-(3-oxo-4-phenethyl-2-quinoxalinyl)propanoic acid (4-oxo-1,2,3-benzotriazin-3-yl)methyl ester IUPAC Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 3-(3-oxo-4-phenethylquinoxalin-2-yl)propanoate Traditional Name: 3-(3-keto-4-phenethyl-quinoxalin-2-yl)propionic acid (4-keto-1,2,3-benzotriazin-3-yl)methyl ester Formula: C27H23N5O4 MolecularWeight: 481.50262

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C3=CC=CC=C3N=C(C2=O)CCC(=O)OCN4C(=O)C5=CC=CC=C5N=N4

Isomeric SMILES

C1=CC=C(C=C1)CCN2C3=CC=CC=C3N=C(C2=O)CCC(=O)OCN4C(=O)C5=CC=CC=C5N=N4

InChI

InChI=1S/C27H23N5O4/c33-25(36-18-32-26(34)20-10-4-5-11-21(20)29-30-32)15-14-23-27(35)31(17-16-19-8-2-1-3-9-19)24-13-7-6-12-22(24)28-23/h1-13H,14-18H2