O3-methyl O1,O2-bis(phenylmethyl) 6-bromanyl-9-ethanoyl-pyridazino[3,4-b]indole-1,2,3-tricarboxylate

Systemtic Name: O3-methyl O1,O2-bis(phenylmethyl) 6-bromanyl-9-ethanoyl-pyridazino[3,4-b]indole-1,2,3-tricarboxylate Openeye Name: O1,O2-dibenzyl O3-methyl 9-acetyl-6-bromo-pyridazino[3,4-b]indole-1,2,3-tricarboxylate CAS Name: 9-acetyl-6-bromopyridazino[3,4-b]indole-1,2,3-tricarboxylic acid O3-methyl ester O1,O2-bis(phenylmethyl) ester IUPAC Name: 1-O,2-O-dibenzyl 3-O-methyl 9-acetyl-6-bromopyridazino[3,4-b]indole-1,2,3-tricarboxylate Traditional Name: 9-acetyl-6-bromo-pyridazin[3,4-b]indole-1,2,3-tricarboxylic acid O1,O2-dibenzyl ester O3-methyl ester Formula: C30H24BrN3O7 MolecularWeight: 618.43146

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C2=C(C=C(C=C2)Br)C3=C1N(N(C(=C3)C(=O)OC)C(=O)OCC4=CC=CC=C4)C(=O)OCC5=CC=CC=C5

Isomeric SMILES

CC(=O)N1C2=C(C=C(C=C2)Br)C3=C1N(N(C(=C3)C(=O)OC)C(=O)OCC4=CC=CC=C4)C(=O)OCC5=CC=CC=C5

InChI

InChI=1S/C30H24BrN3O7/c1-19(35)32-25-14-13-22(31)15-23(25)24-16-26(28(36)39-2)33(29(37)40-17-20-9-5-3-6-10-20)34(27(24)32)30(38)41-18-21-11-7-4-8-12-21/h3-16H,17-18H2,1-2H3