2-[(4-nitrophenyl)methyl-(4-nitrophenyl)sulfanyl-amino]propanoic acid

Systemtic Name: 2-[(4-nitrophenyl)methyl-(4-nitrophenyl)sulfanyl-amino]propanoic acid Openeye Name: 2-[(4-nitrophenyl)methyl-(4-nitrophenyl)sulfanyl-amino]propanoic acid CAS Name: 2-[(4-nitrophenyl)methyl-[(4-nitrophenyl)thio]amino]propanoic acid IUPAC Name: 2-[(4-nitrophenyl)methyl-(4-nitrophenyl)sulfanylamino]propanoic acid Traditional Name: 2-[(4-nitrobenzyl)-[(4-nitrophenyl)thio]amino]propionic acid Formula: C16H15N3O6S MolecularWeight: 377.3718

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)N(CC1=CC=C(C=C1)[N+](=O)[O-])SC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)O)N(CC1=CC=C(C=C1)[N+](=O)[O-])SC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H15N3O6S/c1-11(16(20)21)17(10-12-2-4-13(5-3-12)18(22)23)26-15-8-6-14(7-9-15)19(24)25/h2-9,11H,10H2,1H3,(H,20,21)