methyl 2-azanyl-3-cyano-4,5-dimethyl-5-oxidanyl-cyclohexa-1,3-diene-1-carboxylate

Systemtic Name: methyl 2-azanyl-3-cyano-4,5-dimethyl-5-oxidanyl-cyclohexa-1,3-diene-1-carboxylate Openeye Name: methyl 2-amino-3-cyano-5-hydroxy-4,5-dimethyl-cyclohexa-1,3-diene-1-carboxylate CAS Name: 2-amino-3-cyano-5-hydroxy-4,5-dimethyl-1-cyclohexa-1,3-dienecarboxylic acid methyl ester IUPAC Name: methyl 2-amino-3-cyano-5-hydroxy-4,5-dimethylcyclohexa-1,3-diene-1-carboxylate Traditional Name: 2-amino-3-cyano-5-hydroxy-4,5-dimethyl-cyclohexa-1,3-diene-1-carboxylic acid methyl ester Formula: C11H14N2O3 MolecularWeight: 222.24046

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(CC1(C)O)C(=O)OC)N)C#N

Isomeric SMILES

CC1=C(C(=C(CC1(C)O)C(=O)OC)N)C#N

InChI

InChI=1S/C11H14N2O3/c1-6-8(5-12)9(13)7(10(14)16-3)4-11(6,2)15/h15H,4,13H2,1-3H3