5-[(4-methyl-2-nitro-phenyl)amino]pentanoic acid

Systemtic Name: 5-[(4-methyl-2-nitro-phenyl)amino]pentanoic acid Openeye Name: 5-(4-methyl-2-nitro-anilino)pentanoic acid CAS Name: 5-(4-methyl-2-nitroanilino)pentanoic acid IUPAC Name: 5-(4-methyl-2-nitroanilino)pentanoic acid Traditional Name: 5-(4-methyl-2-nitro-anilino)valeric acid Formula: C12H16N2O4 MolecularWeight: 252.26644

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16N2O4/c1-9-5-6-10(11(8-9)14(17)18)13-7-3-2-4-12(15)16/h5-6,8,13H,2-4,7H2,1H3,(H,15,16)