diethyl 2,2-bis[(2,4-dinitrophenyl)methyl]propanedioate

Systemtic Name: diethyl 2,2-bis[(2,4-dinitrophenyl)methyl]propanedioate Openeye Name: diethyl 2,2-bis[(2,4-dinitrophenyl)methyl]propanedioate CAS Name: 2,2-bis[(2,4-dinitrophenyl)methyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2,2-bis[(2,4-dinitrophenyl)methyl]propanedioate Traditional Name: 2,2-bis(2,4-dinitrobenzyl)malonic acid diethyl ester Formula: C21H20N4O12 MolecularWeight: 520.4031

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N4O12/c1-3-36-19(26)21(20(27)37-4-2,11-13-5-7-15(22(28)29)9-17(13)24(32)33)12-14-6-8-16(23(30)31)10-18(14)25(34)35/h5-10H,3-4,11-12H2,1-2H3