trimethyl azepine-1,4,5-tricarboxylate

Systemtic Name: trimethyl azepine-1,4,5-tricarboxylate Openeye Name: trimethyl azepine-1,4,5-tricarboxylate CAS Name: azepine-1,4,5-tricarboxylic acid trimethyl ester IUPAC Name: trimethyl azepine-1,4,5-tricarboxylate Traditional Name: azepine-1,4,5-tricarboxylic acid trimethyl ester Formula: C12H13NO6 MolecularWeight: 267.23472

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CN(C=C1)C(=O)OC)C(=O)OC

Isomeric SMILES

COC(=O)C1=C(C=CN(C=C1)C(=O)OC)C(=O)OC

InChI

InChI=1S/C12H13NO6/c1-17-10(14)8-4-6-13(12(16)19-3)7-5-9(8)11(15)18-2/h4-7H,1-3H3