ethyl 4-(4,5-dimethyl-2-nitro-phenyl)-4-oxidanyl-but-2-ynoate

Systemtic Name: ethyl 4-(4,5-dimethyl-2-nitro-phenyl)-4-oxidanyl-but-2-ynoate Openeye Name: ethyl 4-(4,5-dimethyl-2-nitro-phenyl)-4-hydroxy-but-2-ynoate CAS Name: 4-(4,5-dimethyl-2-nitrophenyl)-4-hydroxy-2-butynoic acid ethyl ester IUPAC Name: ethyl 4-(4,5-dimethyl-2-nitrophenyl)-4-hydroxybut-2-ynoate Traditional Name: 4-(4,5-dimethyl-2-nitro-phenyl)-4-hydroxy-but-2-ynoic acid ethyl ester Formula: C14H15NO5 MolecularWeight: 277.2726

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C#CC(C1=C(C=C(C(=C1)C)C)[N+](=O)[O-])O

Isomeric SMILES

CCOC(=O)C#CC(C1=C(C=C(C(=C1)C)C)[N+](=O)[O-])O

InChI

InChI=1S/C14H15NO5/c1-4-20-14(17)6-5-13(16)11-7-9(2)10(3)8-12(11)15(18)19/h7-8,13,16H,4H2,1-3H3