2-[4-[(2-methyl-2-nitro-propyl)amino]phenyl]carbonylbutanoic acid

Systemtic Name: 2-[4-[(2-methyl-2-nitro-propyl)amino]phenyl]carbonylbutanoic acid Openeye Name: 2-[4-[(2-methyl-2-nitro-propyl)amino]benzoyl]butanoic acid CAS Name: 2-[[4-[(2-methyl-2-nitropropyl)amino]phenyl]-oxomethyl]butanoic acid IUPAC Name: 2-[4-[(2-methyl-2-nitropropyl)amino]benzoyl]butanoic acid Traditional Name: 2-[4-[(2-methyl-2-nitro-propyl)amino]benzoyl]butyric acid Formula: C15H20N2O5 MolecularWeight: 308.3297

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)C1=CC=C(C=C1)NCC(C)(C)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CCC(C(=O)C1=CC=C(C=C1)NCC(C)(C)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C15H20N2O5/c1-4-12(14(19)20)13(18)10-5-7-11(8-6-10)16-9-15(2,3)17(21)22/h5-8,12,16H,4,9H2,1-3H3,(H,19,20)