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

Systemtic Name: 4-[2-[4-[(2-methyl-2-nitro-propyl)amino]phenyl]carbonylphenyl]-4-oxidanylidene-butanoic acid Openeye Name: 4-[2-[4-[(2-methyl-2-nitro-propyl)amino]benzoyl]phenyl]-4-oxo-butanoic acid CAS Name: 4-[2-[[4-[(2-methyl-2-nitropropyl)amino]phenyl]-oxomethyl]phenyl]-4-oxobutanoic acid IUPAC Name: 4-[2-[4-[(2-methyl-2-nitropropyl)amino]benzoyl]phenyl]-4-oxobutanoic acid Traditional Name: 4-keto-4-[2-[4-[(2-methyl-2-nitro-propyl)amino]benzoyl]phenyl]butyric acid Formula: C21H22N2O6 MolecularWeight: 398.40918

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CNC1=CC=C(C=C1)C(=O)C2=CC=CC=C2C(=O)CCC(=O)O)[N+](=O)[O-]

Isomeric SMILES

CC(C)(CNC1=CC=C(C=C1)C(=O)C2=CC=CC=C2C(=O)CCC(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C21H22N2O6/c1-21(2,23(28)29)13-22-15-9-7-14(8-10-15)20(27)17-6-4-3-5-16(17)18(24)11-12-19(25)26/h3-10,22H,11-13H2,1-2H3,(H,25,26)