ethyl 4-[4-(dimethoxymethyl)-2-nitro-phenyl]-4-oxidanyl-but-2-ynoate

Systemtic Name: ethyl 4-[4-(dimethoxymethyl)-2-nitro-phenyl]-4-oxidanyl-but-2-ynoate Openeye Name: ethyl 4-[4-(dimethoxymethyl)-2-nitro-phenyl]-4-hydroxy-but-2-ynoate CAS Name: 4-[4-(dimethoxymethyl)-2-nitrophenyl]-4-hydroxy-2-butynoic acid ethyl ester IUPAC Name: ethyl 4-[4-(dimethoxymethyl)-2-nitrophenyl]-4-hydroxybut-2-ynoate Traditional Name: 4-[4-(dimethoxymethyl)-2-nitro-phenyl]-4-hydroxy-but-2-ynoic acid ethyl ester Formula: C15H17NO7 MolecularWeight: 323.29798

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H17NO7/c1-4-23-14(18)8-7-13(17)11-6-5-10(15(21-2)22-3)9-12(11)16(19)20/h5-6,9,13,15,17H,4H2,1-3H3