trimethyl 4a-oxidanyl-5-oxidanylidene-6-(phenylmethyl)pyridazino[1,6-a]quinoxaline-2,3,4-tricarboxylate

Systemtic Name: trimethyl 4a-oxidanyl-5-oxidanylidene-6-(phenylmethyl)pyridazino[1,6-a]quinoxaline-2,3,4-tricarboxylate Openeye Name: trimethyl 6-benzyl-4a-hydroxy-5-oxo-pyridazino[1,6-a]quinoxaline-2,3,4-tricarboxylate CAS Name: 4a-hydroxy-5-oxo-6-(phenylmethyl)pyridazino[1,6-a]quinoxaline-2,3,4-tricarboxylic acid trimethyl ester IUPAC Name: trimethyl 6-benzyl-4a-hydroxy-5-oxopyridazino[1,6-a]quinoxaline-2,3,4-tricarboxylate Traditional Name: 6-benzyl-4a-hydroxy-5-keto-pyridazino[1,6-a]quinoxaline-2,3,4-tricarboxylic acid trimethyl ester Formula: C24H21N3O8 MolecularWeight: 479.43884

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2(C(=O)N(C3=CC=CC=C3N2N=C1C(=O)OC)CC4=CC=CC=C4)O)C(=O)OC

Isomeric SMILES

COC(=O)C1=C(C2(C(=O)N(C3=CC=CC=C3N2N=C1C(=O)OC)CC4=CC=CC=C4)O)C(=O)OC

InChI

InChI=1S/C24H21N3O8/c1-33-20(28)17-18(21(29)34-2)24(32)23(31)26(13-14-9-5-4-6-10-14)15-11-7-8-12-16(15)27(24)25-19(17)22(30)35-3/h4-12,32H,13H2,1-3H3