dimethyl 2-(4-methyl-2-nitro-phenyl)propanedioate

Systemtic Name: dimethyl 2-(4-methyl-2-nitro-phenyl)propanedioate Openeye Name: dimethyl 2-(4-methyl-2-nitro-phenyl)propanedioate CAS Name: 2-(4-methyl-2-nitrophenyl)propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-(4-methyl-2-nitrophenyl)propanedioate Traditional Name: 2-(4-methyl-2-nitro-phenyl)malonic acid dimethyl ester Formula: C12H13NO6 MolecularWeight: 267.23472

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13NO6/c1-7-4-5-8(9(6-7)13(16)17)10(11(14)18-2)12(15)19-3/h4-6,10H,1-3H3