methyl 4-oxidanylidene-4-(2,3,4,5-tetramethyl-6-nitro-phenyl)but-2-ynoate

Systemtic Name: methyl 4-oxidanylidene-4-(2,3,4,5-tetramethyl-6-nitro-phenyl)but-2-ynoate Openeye Name: methyl 4-oxo-4-(2,3,4,5-tetramethyl-6-nitro-phenyl)but-2-ynoate CAS Name: 4-oxo-4-(2,3,4,5-tetramethyl-6-nitrophenyl)-2-butynoic acid methyl ester IUPAC Name: methyl 4-oxo-4-(2,3,4,5-tetramethyl-6-nitrophenyl)but-2-ynoate Traditional Name: 4-keto-4-(2,3,4,5-tetramethyl-6-nitro-phenyl)but-2-ynoic acid methyl ester Formula: C15H15NO5 MolecularWeight: 289.2833

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1C)C(=O)C#CC(=O)OC)[N+](=O)[O-])C)C

Isomeric SMILES

CC1=C(C(=C(C(=C1C)C(=O)C#CC(=O)OC)[N+](=O)[O-])C)C

InChI

InChI=1S/C15H15NO5/c1-8-9(2)11(4)15(16(19)20)14(10(8)3)12(17)6-7-13(18)21-5/h1-5H3