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

Systemtic Name: 5-[(2-methyl-4-nitro-phenyl)amino]pentanoate Openeye Name: 5-(2-methyl-4-nitro-anilino)pentanoate CAS Name: 5-(2-methyl-4-nitroanilino)pentanoate IUPAC Name: 5-(2-methyl-4-nitroanilino)pentanoate Traditional Name: 5-(2-methyl-4-nitro-anilino)valerate Formula: C12H15N2O4- MolecularWeight: 251.2585

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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