7-ethoxycarbonyl-1-methyl-4-oxidanylidene-6,8-dihydro-5H-pyrrolo[2,3-c]azepine-3-carboxylic acid

Systemtic Name: 7-ethoxycarbonyl-1-methyl-4-oxidanylidene-6,8-dihydro-5H-pyrrolo[2,3-c]azepine-3-carboxylic acid Openeye Name: 7-ethoxycarbonyl-1-methyl-4-oxo-6,8-dihydro-5H-pyrrolo[2,3-c]azepine-3-carboxylic acid CAS Name: 7-ethoxycarbonyl-1-methyl-4-oxo-6,8-dihydro-5H-pyrrolo[2,3-c]azepine-3-carboxylic acid IUPAC Name: 7-ethoxycarbonyl-1-methyl-4-oxo-6,8-dihydro-5H-pyrrolo[2,3-c]azepine-3-carboxylic acid Traditional Name: 7-carbethoxy-4-keto-1-methyl-6,8-dihydro-5H-pyrrol[2,3-c]azepine-3-carboxylic acid Formula: C13H16N2O5 MolecularWeight: 280.27654

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(=O)C2=C(C1)N(C=C2C(=O)O)C

Isomeric SMILES

CCOC(=O)N1CCC(=O)C2=C(C1)N(C=C2C(=O)O)C

InChI

InChI=1S/C13H16N2O5/c1-3-20-13(19)15-5-4-10(16)11-8(12(17)18)6-14(2)9(11)7-15/h6H,3-5,7H2,1-2H3,(H,17,18)