diethyl 2-azanyl-3-cyano-4-methyl-4,6-bis(trifluoromethyl)cyclohexa-1,5-diene-1,3-dicarboxylate

Systemtic Name: diethyl 2-azanyl-3-cyano-4-methyl-4,6-bis(trifluoromethyl)cyclohexa-1,5-diene-1,3-dicarboxylate Openeye Name: diethyl 2-amino-3-cyano-4-methyl-4,6-bis(trifluoromethyl)cyclohexa-1,5-diene-1,3-dicarboxylate CAS Name: 2-amino-3-cyano-4-methyl-4,6-bis(trifluoromethyl)cyclohexa-1,5-diene-1,3-dicarboxylic acid diethyl ester IUPAC Name: diethyl 2-amino-3-cyano-4-methyl-4,6-bis(trifluoromethyl)cyclohexa-1,5-diene-1,3-dicarboxylate Traditional Name: 2-amino-3-cyano-4-methyl-4,6-bis(trifluoromethyl)cyclohexa-1,5-diene-1,3-dicarboxylic acid diethyl ester Formula: C16H16F6N2O4 MolecularWeight: 414.299659

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(C(C=C1C(F)(F)F)(C)C(F)(F)F)(C#N)C(=O)OCC)N

Isomeric SMILES

CCOC(=O)C1=C(C(C(C=C1C(F)(F)F)(C)C(F)(F)F)(C#N)C(=O)OCC)N

InChI

InChI=1S/C16H16F6N2O4/c1-4-27-11(25)9-8(15(17,18)19)6-13(3,16(20,21)22)14(7-23,10(9)24)12(26)28-5-2/h6H,4-5,24H2,1-3H3