5-[methyl-(2-nitrophenyl)amino]pentanoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCCC(=O)O)C1=CC=CC=C1[N+](=O)[O-]

Isomeric SMILES

CN(CCCCC(=O)O)C1=CC=CC=C1[N+](=O)[O-]

InChI

InChI=1S/C12H16N2O4/c1-13(9-5-4-8-12(15)16)10-6-2-3-7-11(10)14(17)18/h2-3,6-7H,4-5,8-9H2,1H3,(H,15,16)