2-methyl-2-[(4-methyl-2-nitro-phenyl)amino]pentanoic acid

Systemtic Name: 2-methyl-2-[(4-methyl-2-nitro-phenyl)amino]pentanoic acid Openeye Name: 2-methyl-2-(4-methyl-2-nitro-anilino)pentanoic acid CAS Name: 2-methyl-2-(4-methyl-2-nitroanilino)pentanoic acid IUPAC Name: 2-methyl-2-(4-methyl-2-nitroanilino)pentanoic acid Traditional Name: 2-methyl-2-(4-methyl-2-nitro-anilino)valeric acid Formula: C13H18N2O4 MolecularWeight: 266.29302

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)(C(=O)O)NC1=C(C=C(C=C1)C)[N+](=O)[O-]

Isomeric SMILES

CCCC(C)(C(=O)O)NC1=C(C=C(C=C1)C)[N+](=O)[O-]

InChI

InChI=1S/C13H18N2O4/c1-4-7-13(3,12(16)17)14-10-6-5-9(2)8-11(10)15(18)19/h5-6,8,14H,4,7H2,1-3H3,(H,16,17)