diethyl 2-[(4-nitrophenyl)methyl]-2-[(Z)-4-oxidanylbut-2-enyl]propanedioate

Systemtic Name: diethyl 2-[(4-nitrophenyl)methyl]-2-[(Z)-4-oxidanylbut-2-enyl]propanedioate Openeye Name: diethyl 2-[(Z)-4-hydroxybut-2-enyl]-2-[(4-nitrophenyl)methyl]propanedioate CAS Name: 2-[(Z)-4-hydroxybut-2-enyl]-2-[(4-nitrophenyl)methyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[(Z)-4-hydroxybut-2-enyl]-2-[(4-nitrophenyl)methyl]propanedioate Traditional Name: 2-[(Z)-4-hydroxybut-2-enyl]-2-(4-nitrobenzyl)malonic acid diethyl ester Formula: C18H23NO7 MolecularWeight: 365.37772

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC=CCO)(CC1=CC=C(C=C1)[N+](=O)[O-])C(=O)OCC

Isomeric SMILES

CCOC(=O)C(C/C=C\CO)(CC1=CC=C(C=C1)[N+](=O)[O-])C(=O)OCC

InChI

InChI=1S/C18H23NO7/c1-3-25-16(21)18(11-5-6-12-20,17(22)26-4-2)13-14-7-9-15(10-8-14)19(23)24/h5-10,20H,3-4,11-13H2,1-2H3/b6-5-