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

Systemtic Name: 2-[(4-methoxy-2-nitro-phenyl)amino]-2-methyl-pentanoic acid Openeye Name: 2-(4-methoxy-2-nitro-anilino)-2-methyl-pentanoic acid CAS Name: 2-(4-methoxy-2-nitroanilino)-2-methylpentanoic acid IUPAC Name: 2-(4-methoxy-2-nitroanilino)-2-methylpentanoic acid Traditional Name: 2-(4-methoxy-2-nitro-anilino)-2-methyl-valeric acid Formula: C13H18N2O5 MolecularWeight: 282.29242

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18N2O5/c1-4-7-13(2,12(16)17)14-10-6-5-9(20-3)8-11(10)15(18)19/h5-6,8,14H,4,7H2,1-3H3,(H,16,17)