methyl 5-cyano-5-(2,7-dimethyl-1,3-benzoxazol-4-yl)-2-oxidanylidene-cyclohexane-1-carboxylate

Systemtic Name: methyl 5-cyano-5-(2,7-dimethyl-1,3-benzoxazol-4-yl)-2-oxidanylidene-cyclohexane-1-carboxylate Openeye Name: methyl 5-cyano-5-(2,7-dimethyl-1,3-benzoxazol-4-yl)-2-oxo-cyclohexanecarboxylate CAS Name: 5-cyano-5-(2,7-dimethyl-1,3-benzoxazol-4-yl)-2-oxo-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl 5-cyano-5-(2,7-dimethyl-1,3-benzoxazol-4-yl)-2-oxocyclohexane-1-carboxylate Traditional Name: 5-cyano-5-(2,7-dimethyl-1,3-benzoxazol-4-yl)-2-keto-cyclohexanecarboxylic acid methyl ester Formula: C18H18N2O4 MolecularWeight: 326.34652

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C=C1)C3(CCC(=O)C(C3)C(=O)OC)C#N)N=C(O2)C

Isomeric SMILES

CC1=C2C(=C(C=C1)C3(CCC(=O)C(C3)C(=O)OC)C#N)N=C(O2)C

InChI

InChI=1S/C18H18N2O4/c1-10-4-5-13(15-16(10)24-11(2)20-15)18(9-19)7-6-14(21)12(8-18)17(22)23-3/h4-5,12H,6-8H2,1-3H3