7-[(2-methyl-4-nitro-phenyl)amino]heptanoic acid

Systemtic Name: 7-[(2-methyl-4-nitro-phenyl)amino]heptanoic acid Openeye Name: 7-(2-methyl-4-nitro-anilino)heptanoic acid CAS Name: 7-(2-methyl-4-nitroanilino)heptanoic acid IUPAC Name: 7-(2-methyl-4-nitroanilino)heptanoic acid Traditional Name: 7-(2-methyl-4-nitro-anilino)enanthic acid Formula: C14H20N2O4 MolecularWeight: 280.3196

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20N2O4/c1-11-10-12(16(19)20)7-8-13(11)15-9-5-3-2-4-6-14(17)18/h7-8,10,15H,2-6,9H2,1H3,(H,17,18)