diethyl 2-[(5-methyl-2-nitro-phenyl)methyl]-2-[(2-nitrophenyl)methyl]propanedioate

Systemtic Name: diethyl 2-[(5-methyl-2-nitro-phenyl)methyl]-2-[(2-nitrophenyl)methyl]propanedioate Openeye Name: diethyl 2-[(5-methyl-2-nitro-phenyl)methyl]-2-[(2-nitrophenyl)methyl]propanedioate CAS Name: 2-[(5-methyl-2-nitrophenyl)methyl]-2-[(2-nitrophenyl)methyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[(5-methyl-2-nitrophenyl)methyl]-2-[(2-nitrophenyl)methyl]propanedioate Traditional Name: 2-(5-methyl-2-nitro-benzyl)-2-(2-nitrobenzyl)malonic acid diethyl ester Formula: C22H24N2O8 MolecularWeight: 444.43456

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N2O8/c1-4-31-20(25)22(21(26)32-5-2,13-16-8-6-7-9-18(16)23(27)28)14-17-12-15(3)10-11-19(17)24(29)30/h6-12H,4-5,13-14H2,1-3H3