trimethyl 4H-azepine-2,6,7-tricarboxylate

Systemtic Name: trimethyl 4H-azepine-2,6,7-tricarboxylate Openeye Name: trimethyl 4H-azepine-2,6,7-tricarboxylate CAS Name: 4H-azepine-2,6,7-tricarboxylic acid trimethyl ester IUPAC Name: trimethyl 4H-azepine-2,6,7-tricarboxylate Traditional Name: 4H-azepine-2,6,7-tricarboxylic acid trimethyl ester Formula: C12H13NO6 MolecularWeight: 267.23472

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CCC=C(N=C1C(=O)OC)C(=O)OC

Isomeric SMILES

COC(=O)C1=CCC=C(N=C1C(=O)OC)C(=O)OC

InChI

InChI=1S/C12H13NO6/c1-17-10(14)7-5-4-6-8(11(15)18-2)13-9(7)12(16)19-3/h5-6H,4H2,1-3H3