2-[(3-methyl-4-nitro-phenyl)methyl]propanedioate

Systemtic Name: 2-[(3-methyl-4-nitro-phenyl)methyl]propanedioate Openeye Name: 2-[(3-methyl-4-nitro-phenyl)methyl]propanedioate CAS Name: 2-[(3-methyl-4-nitrophenyl)methyl]propanedioate IUPAC Name: 2-[(3-methyl-4-nitrophenyl)methyl]propanedioate Traditional Name: 2-(3-methyl-4-nitro-benzyl)malonate Formula: C11H9NO6-2 MolecularWeight: 251.19226

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H11NO6/c1-6-4-7(2-3-9(6)12(17)18)5-8(10(13)14)11(15)16/h2-4,8H,5H2,1H3,(H,13,14)(H,15,16)/p-2