methyl 5-(5-azanyl-4-oxidanylidene-cyclohexa-1,5-dien-1-yl)pentanoate

Systemtic Name: methyl 5-(5-azanyl-4-oxidanylidene-cyclohexa-1,5-dien-1-yl)pentanoate Openeye Name: methyl 5-(5-amino-4-oxo-cyclohexa-1,5-dien-1-yl)pentanoate CAS Name: 5-(5-amino-4-oxo-1-cyclohexa-1,5-dienyl)pentanoic acid methyl ester IUPAC Name: methyl 5-(5-amino-4-oxocyclohexa-1,5-dien-1-yl)pentanoate Traditional Name: 5-(5-amino-4-keto-cyclohexa-1,5-dien-1-yl)valeric acid methyl ester Formula: C12H17NO3 MolecularWeight: 223.26828

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCC1=CCC(=O)C(=C1)N

Isomeric SMILES

COC(=O)CCCCC1=CCC(=O)C(=C1)N

InChI

InChI=1S/C12H17NO3/c1-16-12(15)5-3-2-4-9-6-7-11(14)10(13)8-9/h6,8H,2-5,7,13H2,1H3