methyl 7-methanoyl-3-oxidanylidene-1,2,5,6-tetrahydropyrrolo[1,2-a]azepine-5-carboxylate

Systemtic Name: methyl 7-methanoyl-3-oxidanylidene-1,2,5,6-tetrahydropyrrolo[1,2-a]azepine-5-carboxylate Openeye Name: methyl 7-formyl-3-oxo-1,2,5,6-tetrahydropyrrolo[1,2-a]azepine-5-carboxylate CAS Name: 7-formyl-3-oxo-1,2,5,6-tetrahydropyrrolo[1,2-a]azepine-5-carboxylic acid methyl ester IUPAC Name: methyl 7-formyl-3-oxo-1,2,5,6-tetrahydropyrrolo[1,2-a]azepine-5-carboxylate Traditional Name: 7-formyl-3-keto-1,2,5,6-tetrahydropyrrol[1,2-a]azepine-5-carboxylic acid methyl ester Formula: C12H13NO4 MolecularWeight: 235.23592

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC(=CC=C2N1C(=O)CC2)C=O

Isomeric SMILES

COC(=O)C1CC(=CC=C2N1C(=O)CC2)C=O

InChI

InChI=1S/C12H13NO4/c1-17-12(16)10-6-8(7-14)2-3-9-4-5-11(15)13(9)10/h2-3,7,10H,4-6H2,1H3