2-[[[(2R)-2-acetamido-3-methyl-butanoyl]amino]methyl]-4-nitro-phenolate

Systemtic Name: 2-[[[(2R)-2-acetamido-3-methyl-butanoyl]amino]methyl]-4-nitro-phenolate Openeye Name: 2-[[[(2R)-2-acetamido-3-methyl-butanoyl]amino]methyl]-4-nitro-phenolate CAS Name: 2-[[[(2R)-2-acetamido-3-methyl-1-oxobutyl]amino]methyl]-4-nitrophenolate IUPAC Name: 2-[[[(2R)-2-acetamido-3-methylbutanoyl]amino]methyl]-4-nitrophenolate Traditional Name: 2-[[[(2R)-2-acetamido-3-methyl-butanoyl]amino]methyl]-4-nitro-phenolate Formula: C14H18N3O5- MolecularWeight: 308.30982

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NCC1=C(C=CC(=C1)[N+](=O)[O-])[O-])NC(=O)C

Isomeric SMILES

CC(C)[C@H](C(=O)NCC1=C(C=CC(=C1)[N+](=O)[O-])[O-])NC(=O)C

InChI

InChI=1S/C14H19N3O5/c1-8(2)13(16-9(3)18)14(20)15-7-10-6-11(17(21)22)4-5-12(10)19/h4-6,8,13,19H,7H2,1-3H3,(H,15,20)(H,16,18)/p-1/t13-/m1/s1