5-[(4-methyl-3-nitro-phenyl)amino]pentanoate

Systemtic Name: 5-[(4-methyl-3-nitro-phenyl)amino]pentanoate Openeye Name: 5-(4-methyl-3-nitro-anilino)pentanoate CAS Name: 5-(4-methyl-3-nitroanilino)pentanoate IUPAC Name: 5-(4-methyl-3-nitroanilino)pentanoate Traditional Name: 5-(4-methyl-3-nitro-anilino)valerate Formula: C12H15N2O4- MolecularWeight: 251.2585

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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