2-azanyl-3-[3-chloranyl-2-(4-nitrophenyl)sulfinyl-1,2-dihydroimidazol-4-yl]propanoic acid

Systemtic Name: 2-azanyl-3-[3-chloranyl-2-(4-nitrophenyl)sulfinyl-1,2-dihydroimidazol-4-yl]propanoic acid Openeye Name: 2-amino-3-[3-chloro-2-(4-nitrophenyl)sulfinyl-1,2-dihydroimidazol-4-yl]propanoic acid CAS Name: 2-amino-3-[3-chloro-2-(4-nitrophenyl)sulfinyl-1,2-dihydroimidazol-4-yl]propanoic acid IUPAC Name: 2-amino-3-[3-chloro-2-(4-nitrophenyl)sulfinyl-1,2-dihydroimidazol-4-yl]propanoic acid Traditional Name: 2-amino-3-[3-chloro-2-(4-nitrophenyl)sulfinyl-4-imidazolin-4-yl]propionic acid Formula: C12H13ClN4O5S MolecularWeight: 360.77342

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1[N+](=O)[O-])S(=O)C2NC=C(N2Cl)CC(C(=O)O)N

Isomeric SMILES

C1=CC(=CC=C1[N+](=O)[O-])S(=O)C2NC=C(N2Cl)CC(C(=O)O)N

InChI

InChI=1S/C12H13ClN4O5S/c13-16-8(5-10(14)11(18)19)6-15-12(16)23(22)9-3-1-7(2-4-9)17(20)21/h1-4,6,10,12,15H,5,14H2,(H,18,19)