5-[4-[(2-methyl-2-nitro-propyl)amino]phenyl]-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-[4-[(2-methyl-2-nitro-propyl)amino]phenyl]-5-oxidanylidene-pentanoic acid Openeye Name: 5-[4-[(2-methyl-2-nitro-propyl)amino]phenyl]-5-oxo-pentanoic acid CAS Name: 5-[4-[(2-methyl-2-nitropropyl)amino]phenyl]-5-oxopentanoic acid IUPAC Name: 5-[4-[(2-methyl-2-nitropropyl)amino]phenyl]-5-oxopentanoic acid Traditional Name: 5-keto-5-[4-[(2-methyl-2-nitro-propyl)amino]phenyl]valeric acid Formula: C15H20N2O5 MolecularWeight: 308.3297

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CNC1=CC=C(C=C1)C(=O)CCCC(=O)O)[N+](=O)[O-]

Isomeric SMILES

CC(C)(CNC1=CC=C(C=C1)C(=O)CCCC(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C15H20N2O5/c1-15(2,17(21)22)10-16-12-8-6-11(7-9-12)13(18)4-3-5-14(19)20/h6-9,16H,3-5,10H2,1-2H3,(H,19,20)