dimethyl 2-(5-methyl-2,4-dinitro-phenyl)propanedioate

Systemtic Name: dimethyl 2-(5-methyl-2,4-dinitro-phenyl)propanedioate Openeye Name: dimethyl 2-(5-methyl-2,4-dinitro-phenyl)propanedioate CAS Name: 2-(5-methyl-2,4-dinitrophenyl)propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-(5-methyl-2,4-dinitrophenyl)propanedioate Traditional Name: 2-(5-methyl-2,4-dinitro-phenyl)malonic acid dimethyl ester Formula: C12H12N2O8 MolecularWeight: 312.23228

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12N2O8/c1-6-4-7(10(11(15)21-2)12(16)22-3)9(14(19)20)5-8(6)13(17)18/h4-5,10H,1-3H3