(2S)-2-acetamido-6-[(2,4-dinitrophenyl)amino]hexanoic acid

Systemtic Name: (2S)-2-acetamido-6-[(2,4-dinitrophenyl)amino]hexanoic acid Openeye Name: (2S)-2-acetamido-6-(2,4-dinitroanilino)hexanoic acid CAS Name: (2S)-2-acetamido-6-(2,4-dinitroanilino)hexanoic acid IUPAC Name: (2S)-2-acetamido-6-(2,4-dinitroanilino)hexanoic acid Traditional Name: (2S)-2-acetamido-6-(2,4-dinitroanilino)hexanoic acid Formula: C14H18N4O7 MolecularWeight: 354.31532

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CCCCNC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC(=O)N[C@@H](CCCCNC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C14H18N4O7/c1-9(19)16-12(14(20)21)4-2-3-7-15-11-6-5-10(17(22)23)8-13(11)18(24)25/h5-6,8,12,15H,2-4,7H2,1H3,(H,16,19)(H,20,21)/t12-/m0/s1