ethyl 4-(4-methoxy-2-nitro-5-propan-2-yloxy-phenyl)-4-oxidanyl-but-2-ynoate

Systemtic Name: ethyl 4-(4-methoxy-2-nitro-5-propan-2-yloxy-phenyl)-4-oxidanyl-but-2-ynoate Openeye Name: ethyl 4-hydroxy-4-(5-isopropoxy-4-methoxy-2-nitro-phenyl)but-2-ynoate CAS Name: 4-hydroxy-4-(4-methoxy-2-nitro-5-propan-2-yloxyphenyl)-2-butynoic acid ethyl ester IUPAC Name: ethyl 4-hydroxy-4-(4-methoxy-2-nitro-5-propan-2-yloxyphenyl)but-2-ynoate Traditional Name: 4-hydroxy-4-(5-isopropoxy-4-methoxy-2-nitro-phenyl)but-2-ynoic acid ethyl ester Formula: C16H19NO7 MolecularWeight: 337.32456

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19NO7/c1-5-23-16(19)7-6-13(18)11-8-15(24-10(2)3)14(22-4)9-12(11)17(20)21/h8-10,13,18H,5H2,1-4H3