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

Systemtic Name: 4-[4-[(2-methyl-2-nitro-propyl)amino]phenyl]-4-oxidanylidene-butanoic acid Openeye Name: 4-[4-[(2-methyl-2-nitro-propyl)amino]phenyl]-4-oxo-butanoic acid CAS Name: 4-[4-[(2-methyl-2-nitropropyl)amino]phenyl]-4-oxobutanoic acid IUPAC Name: 4-[4-[(2-methyl-2-nitropropyl)amino]phenyl]-4-oxobutanoic acid Traditional Name: 4-keto-4-[4-[(2-methyl-2-nitro-propyl)amino]phenyl]butyric acid Formula: C14H18N2O5 MolecularWeight: 294.30312

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18N2O5/c1-14(2,16(20)21)9-15-11-5-3-10(4-6-11)12(17)7-8-13(18)19/h3-6,15H,7-9H2,1-2H3,(H,18,19)