bis[2-(4-methylphenyl)-2-oxidanylidene-ethyl] 2-[(3-nitrophenyl)methylidene]propanedioate

Systemtic Name: bis[2-(4-methylphenyl)-2-oxidanylidene-ethyl] 2-[(3-nitrophenyl)methylidene]propanedioate Openeye Name: bis[2-oxo-2-(p-tolyl)ethyl] 2-[(3-nitrophenyl)methylene]propanedioate CAS Name: 2-[(3-nitrophenyl)methylidene]propanedioic acid bis[2-(4-methylphenyl)-2-oxoethyl] ester IUPAC Name: bis[2-(4-methylphenyl)-2-oxoethyl] 2-[(3-nitrophenyl)methylidene]propanedioate Traditional Name: 2-(3-nitrobenzylidene)malonic acid bis[2-keto-2-(p-tolyl)ethyl] ester Formula: C28H23NO8 MolecularWeight: 501.48412

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)COC(=O)C(=CC2=CC(=CC=C2)[N+](=O)[O-])C(=O)OCC(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)COC(=O)C(=CC2=CC(=CC=C2)[N+](=O)[O-])C(=O)OCC(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C28H23NO8/c1-18-6-10-21(11-7-18)25(30)16-36-27(32)24(15-20-4-3-5-23(14-20)29(34)35)28(33)37-17-26(31)22-12-8-19(2)9-13-22/h3-15H,16-17H2,1-2H3