2-[[(4,5-dimethyl-2-nitro-phenyl)amino]methylidene]propanedioic acid

Systemtic Name: 2-[[(4,5-dimethyl-2-nitro-phenyl)amino]methylidene]propanedioic acid Openeye Name: 2-[(4,5-dimethyl-2-nitro-anilino)methylene]propanedioic acid CAS Name: 2-[(4,5-dimethyl-2-nitroanilino)methylidene]propanedioic acid IUPAC Name: 2-[(4,5-dimethyl-2-nitroanilino)methylidene]propanedioic acid Traditional Name: 2-[(4,5-dimethyl-2-nitro-anilino)methylene]malonic acid Formula: C12H12N2O6 MolecularWeight: 280.23348

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C)[N+](=O)[O-])NC=C(C(=O)O)C(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1C)[N+](=O)[O-])NC=C(C(=O)O)C(=O)O

InChI

InChI=1S/C12H12N2O6/c1-6-3-9(10(14(19)20)4-7(6)2)13-5-8(11(15)16)12(17)18/h3-5,13H,1-2H3,(H,15,16)(H,17,18)