2-azanyl-3-[(4-nitrophenyl)methylsulfonyl]propanoic acid

Systemtic Name: 2-azanyl-3-[(4-nitrophenyl)methylsulfonyl]propanoic acid Openeye Name: 2-amino-3-[(4-nitrophenyl)methylsulfonyl]propanoic acid CAS Name: 2-amino-3-[(4-nitrophenyl)methylsulfonyl]propanoic acid IUPAC Name: 2-amino-3-[(4-nitrophenyl)methylsulfonyl]propanoic acid Traditional Name: 2-amino-3-(4-nitrobenzyl)sulfonyl-propionic acid Formula: C10H12N2O6S MolecularWeight: 288.27708

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CS(=O)(=O)CC(C(=O)O)N)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1CS(=O)(=O)CC(C(=O)O)N)[N+](=O)[O-]

InChI

InChI=1S/C10H12N2O6S/c11-9(10(13)14)6-19(17,18)5-7-1-3-8(4-2-7)12(15)16/h1-4,9H,5-6,11H2,(H,13,14)