(2S)-2-azanyl-5-[(2,6-dinitrophenyl)amino]pentanoic acid

Systemtic Name: (2S)-2-azanyl-5-[(2,6-dinitrophenyl)amino]pentanoic acid Openeye Name: (2S)-2-amino-5-(2,6-dinitroanilino)pentanoic acid CAS Name: (2S)-2-amino-5-(2,6-dinitroanilino)pentanoic acid IUPAC Name: (2S)-2-amino-5-(2,6-dinitroanilino)pentanoic acid Traditional Name: (2S)-2-amino-5-(2,6-dinitroanilino)valeric acid Formula: C11H14N4O6 MolecularWeight: 298.25206

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H14N4O6/c12-7(11(16)17)3-2-6-13-10-8(14(18)19)4-1-5-9(10)15(20)21/h1,4-5,7,13H,2-3,6,12H2,(H,16,17)/t7-/m0/s1