O2-ethyl O1,O1-dimethyl 1-(9-bromanyl-7-ethoxycarbonyl-6-oxidanylidene-quinolizin-2-yl)ethane-1,1,2-tricarboxylate

Systemtic Name: O2-ethyl O1,O1-dimethyl 1-(9-bromanyl-7-ethoxycarbonyl-6-oxidanylidene-quinolizin-2-yl)ethane-1,1,2-tricarboxylate Openeye Name: O2-ethyl O1,O1-dimethyl 1-(9-bromo-7-ethoxycarbonyl-6-oxo-quinolizin-2-yl)ethane-1,1,2-tricarboxylate CAS Name: 1-(9-bromo-7-ethoxycarbonyl-6-oxo-2-quinolizinyl)ethane-1,1,2-tricarboxylic acid O2-ethyl ester O1,O1-dimethyl ester IUPAC Name: 2-O-ethyl 1-O,1-O-dimethyl 1-(9-bromo-7-ethoxycarbonyl-6-oxoquinolizin-2-yl)ethane-1,1,2-tricarboxylate Traditional Name: 1-(9-bromo-7-carbethoxy-6-keto-quinolizin-2-yl)ethane-1,1,2-tricarboxylic acid O2-ethyl ester O1,O1-dimethyl ester Formula: C21H22BrNO9 MolecularWeight: 512.30468

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C1=CC2=C(C=C(C(=O)N2C=C1)C(=O)OCC)Br)(C(=O)OC)C(=O)OC

Isomeric SMILES

CCOC(=O)CC(C1=CC2=C(C=C(C(=O)N2C=C1)C(=O)OCC)Br)(C(=O)OC)C(=O)OC

InChI

InChI=1S/C21H22BrNO9/c1-5-31-16(24)11-21(19(27)29-3,20(28)30-4)12-7-8-23-15(9-12)14(22)10-13(17(23)25)18(26)32-6-2/h7-10H,5-6,11H2,1-4H3