(2S)-2-[(4-acetamido-2-nitro-phenyl)amino]-3-methyl-butanoic acid

Systemtic Name: (2S)-2-[(4-acetamido-2-nitro-phenyl)amino]-3-methyl-butanoic acid Openeye Name: (2S)-2-(4-acetamido-2-nitro-anilino)-3-methyl-butanoic acid CAS Name: (2S)-2-(4-acetamido-2-nitroanilino)-3-methylbutanoic acid IUPAC Name: (2S)-2-(4-acetamido-2-nitroanilino)-3-methylbutanoic acid Traditional Name: (2S)-2-(4-acetamido-2-nitro-anilino)-3-methyl-butyric acid Formula: C13H17N3O5 MolecularWeight: 295.29118

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NC1=C(C=C(C=C1)NC(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC(C)[C@@H](C(=O)O)NC1=C(C=C(C=C1)NC(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C13H17N3O5/c1-7(2)12(13(18)19)15-10-5-4-9(14-8(3)17)6-11(10)16(20)21/h4-7,12,15H,1-3H3,(H,14,17)(H,18,19)/t12-/m0/s1