dimethyl 2-[(Z)-5-(4-nitrophenyl)-5-oxidanyl-3-oxidanylidene-pent-4-enyl]propanedioate

Systemtic Name: dimethyl 2-[(Z)-5-(4-nitrophenyl)-5-oxidanyl-3-oxidanylidene-pent-4-enyl]propanedioate Openeye Name: dimethyl 2-[(Z)-5-hydroxy-5-(4-nitrophenyl)-3-oxo-pent-4-enyl]propanedioate CAS Name: 2-[(Z)-5-hydroxy-5-(4-nitrophenyl)-3-oxopent-4-enyl]propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[(Z)-5-hydroxy-5-(4-nitrophenyl)-3-oxopent-4-enyl]propanedioate Traditional Name: 2-[(Z)-5-hydroxy-3-keto-5-(4-nitrophenyl)pent-4-enyl]malonic acid dimethyl ester Formula: C16H17NO8 MolecularWeight: 351.30808

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCC(=O)C=C(C1=CC=C(C=C1)[N+](=O)[O-])O)C(=O)OC

Isomeric SMILES

COC(=O)C(CCC(=O)/C=C(/C1=CC=C(C=C1)[N+](=O)[O-])\O)C(=O)OC

InChI

InChI=1S/C16H17NO8/c1-24-15(20)13(16(21)25-2)8-7-12(18)9-14(19)10-3-5-11(6-4-10)17(22)23/h3-6,9,13,19H,7-8H2,1-2H3/b14-9-