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

Systemtic Name: 5-[(4,5-dimethyl-2-nitro-phenyl)amino]pentanoate Openeye Name: 5-(4,5-dimethyl-2-nitro-anilino)pentanoate CAS Name: 5-(4,5-dimethyl-2-nitroanilino)pentanoate IUPAC Name: 5-(4,5-dimethyl-2-nitroanilino)pentanoate Traditional Name: 5-(4,5-dimethyl-2-nitro-anilino)valerate Formula: C13H17N2O4- MolecularWeight: 265.28508

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C)[N+](=O)[O-])NCCCCC(=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1C)[N+](=O)[O-])NCCCCC(=O)[O-]

InChI

InChI=1S/C13H18N2O4/c1-9-7-11(12(15(18)19)8-10(9)2)14-6-4-3-5-13(16)17/h7-8,14H,3-6H2,1-2H3,(H,16,17)/p-1