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

Systemtic Name: 2-azanyl-3-[3-chloranyl-2-(4-nitrophenyl)sulfinyl-1,2-dihydroimidazol-4-yl]propanoic acid hydrochloride Openeye Name: 2-amino-3-[3-chloro-2-(4-nitrophenyl)sulfinyl-1,2-dihydroimidazol-4-yl]propanoic acid hydrochloride CAS Name: 2-amino-3-[3-chloro-2-(4-nitrophenyl)sulfinyl-1,2-dihydroimidazol-4-yl]propanoic acid hydrochloride IUPAC Name: 2-amino-3-[3-chloro-2-(4-nitrophenyl)sulfinyl-1,2-dihydroimidazol-4-yl]propanoic acid hydrochloride Traditional Name: 2-amino-3-[3-chloro-2-(4-nitrophenyl)sulfinyl-4-imidazolin-4-yl]propionic acid hydrochloride Formula: C12H14Cl2N4O5S MolecularWeight: 397.23436

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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.Cl

Isomeric SMILES

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

InChI

InChI=1S/C12H13ClN4O5S.ClH/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);1H