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

Systemtic Name: 4-[(4,5-dimethyl-2-nitro-phenyl)amino]butanoate Openeye Name: 4-(4,5-dimethyl-2-nitro-anilino)butanoate CAS Name: 4-(4,5-dimethyl-2-nitroanilino)butanoate IUPAC Name: 4-(4,5-dimethyl-2-nitroanilino)butanoate Traditional Name: 4-(4,5-dimethyl-2-nitro-anilino)butyrate Formula: C12H15N2O4- MolecularWeight: 251.2585

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16N2O4/c1-8-6-10(13-5-3-4-12(15)16)11(14(17)18)7-9(8)2/h6-7,13H,3-5H2,1-2H3,(H,15,16)/p-1