3-methyl-4-[4-[(2-methyl-2-nitro-propyl)amino]phenyl]-4-oxidanylidene-butanoic acid

Systemtic Name: 3-methyl-4-[4-[(2-methyl-2-nitro-propyl)amino]phenyl]-4-oxidanylidene-butanoic acid Openeye Name: 3-methyl-4-[4-[(2-methyl-2-nitro-propyl)amino]phenyl]-4-oxo-butanoic acid CAS Name: 3-methyl-4-[4-[(2-methyl-2-nitropropyl)amino]phenyl]-4-oxobutanoic acid IUPAC Name: 3-methyl-4-[4-[(2-methyl-2-nitropropyl)amino]phenyl]-4-oxobutanoic acid Traditional Name: 4-keto-3-methyl-4-[4-[(2-methyl-2-nitro-propyl)amino]phenyl]butyric acid Formula: C15H20N2O5 MolecularWeight: 308.3297

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20N2O5/c1-10(8-13(18)19)14(20)11-4-6-12(7-5-11)16-9-15(2,3)17(21)22/h4-7,10,16H,8-9H2,1-3H3,(H,18,19)