2-methyl-2-[(3-methyl-4-nitro-phenyl)amino]pentanoic acid

Systemtic Name: 2-methyl-2-[(3-methyl-4-nitro-phenyl)amino]pentanoic acid Openeye Name: 2-methyl-2-(3-methyl-4-nitro-anilino)pentanoic acid CAS Name: 2-methyl-2-(3-methyl-4-nitroanilino)pentanoic acid IUPAC Name: 2-methyl-2-(3-methyl-4-nitroanilino)pentanoic acid Traditional Name: 2-methyl-2-(3-methyl-4-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=CC(=C(C=C1)[N+](=O)[O-])C

Isomeric SMILES

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

InChI

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