O1-ethyl O2,O5-dimethyl azepine-1,2,5-tricarboxylate

Systemtic Name: O1-ethyl O2,O5-dimethyl azepine-1,2,5-tricarboxylate Openeye Name: O1-ethyl O2,O5-dimethyl azepine-1,2,5-tricarboxylate CAS Name: azepine-1,2,5-tricarboxylic acid O1-ethyl ester O2,O5-dimethyl ester IUPAC Name: 1-O-ethyl 2-O,5-O-dimethyl azepine-1,2,5-tricarboxylate Traditional Name: azepine-1,2,5-tricarboxylic acid O1-ethyl ester O2,O5-dimethyl ester Formula: C13H15NO6 MolecularWeight: 281.2613

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1C=CC(=CC=C1C(=O)OC)C(=O)OC

Isomeric SMILES

CCOC(=O)N1C=CC(=CC=C1C(=O)OC)C(=O)OC

InChI

InChI=1S/C13H15NO6/c1-4-20-13(17)14-8-7-9(11(15)18-2)5-6-10(14)12(16)19-3/h5-8H,4H2,1-3H3