2-azanyl-6-[(5-methyl-2-nitro-phenyl)amino]hexanoic acid

Systemtic Name: 2-azanyl-6-[(5-methyl-2-nitro-phenyl)amino]hexanoic acid Openeye Name: 2-amino-6-(5-methyl-2-nitro-anilino)hexanoic acid CAS Name: 2-amino-6-(5-methyl-2-nitroanilino)hexanoic acid IUPAC Name: 2-amino-6-(5-methyl-2-nitroanilino)hexanoic acid Traditional Name: 2-amino-6-(5-methyl-2-nitro-anilino)hexanoic acid Formula: C13H19N3O4 MolecularWeight: 281.30766

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H19N3O4/c1-9-5-6-12(16(19)20)11(8-9)15-7-3-2-4-10(14)13(17)18/h5-6,8,10,15H,2-4,7,14H2,1H3,(H,17,18)