ethyl 4-(4-methyl-2-nitro-phenyl)-4-oxidanyl-but-2-ynoate

Systemtic Name: ethyl 4-(4-methyl-2-nitro-phenyl)-4-oxidanyl-but-2-ynoate Openeye Name: ethyl 4-hydroxy-4-(4-methyl-2-nitro-phenyl)but-2-ynoate CAS Name: 4-hydroxy-4-(4-methyl-2-nitrophenyl)-2-butynoic acid ethyl ester IUPAC Name: ethyl 4-hydroxy-4-(4-methyl-2-nitrophenyl)but-2-ynoate Traditional Name: 4-hydroxy-4-(4-methyl-2-nitro-phenyl)but-2-ynoic acid ethyl ester Formula: C13H13NO5 MolecularWeight: 263.24602

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13NO5/c1-3-19-13(16)7-6-12(15)10-5-4-9(2)8-11(10)14(17)18/h4-5,8,12,15H,3H2,1-2H3