O3-[1,2-bis(4-methylphenyl)-2-oxidanylidene-ethyl] O1-methyl 5-nitrobenzene-1,3-dicarboxylate

Systemtic Name: O3-[1,2-bis(4-methylphenyl)-2-oxidanylidene-ethyl] O1-methyl 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O1-methyl O3-[2-oxo-1,2-bis(p-tolyl)ethyl] 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[1,2-bis(4-methylphenyl)-2-oxoethyl] ester O1-methyl ester IUPAC Name: 3-O-[1,2-bis(4-methylphenyl)-2-oxoethyl] 1-O-methyl 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[2-keto-1,2-bis(p-tolyl)ethyl] ester O1-methyl ester Formula: C25H21NO7 MolecularWeight: 447.43674

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C(=O)C2=CC=C(C=C2)C)OC(=O)C3=CC(=CC(=C3)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C(C(=O)C2=CC=C(C=C2)C)OC(=O)C3=CC(=CC(=C3)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C25H21NO7/c1-15-4-8-17(9-5-15)22(27)23(18-10-6-16(2)7-11-18)33-25(29)20-12-19(24(28)32-3)13-21(14-20)26(30)31/h4-14,23H,1-3H3