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

Systemtic Name: ethyl 4-(5-chloranyl-2-nitro-phenyl)-4-oxidanyl-but-2-ynoate Openeye Name: ethyl 4-(5-chloro-2-nitro-phenyl)-4-hydroxy-but-2-ynoate CAS Name: 4-(5-chloro-2-nitrophenyl)-4-hydroxy-2-butynoic acid ethyl ester IUPAC Name: ethyl 4-(5-chloro-2-nitrophenyl)-4-hydroxybut-2-ynoate Traditional Name: 4-(5-chloro-2-nitro-phenyl)-4-hydroxy-but-2-ynoic acid ethyl ester Formula: C12H10ClNO5 MolecularWeight: 283.6645

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H10ClNO5/c1-2-19-12(16)6-5-11(15)9-7-8(13)3-4-10(9)14(17)18/h3-4,7,11,15H,2H2,1H3