3-[(2-azanyl-5-nitro-phenyl)-(2-chlorophenyl)methyl]sulfanylpropanoic acid

Systemtic Name: 3-[(2-azanyl-5-nitro-phenyl)-(2-chlorophenyl)methyl]sulfanylpropanoic acid Openeye Name: 3-[(2-amino-5-nitro-phenyl)-(2-chlorophenyl)methyl]sulfanylpropanoic acid CAS Name: 3-[[(2-amino-5-nitrophenyl)-(2-chlorophenyl)methyl]thio]propanoic acid IUPAC Name: 3-[(2-amino-5-nitrophenyl)-(2-chlorophenyl)methyl]sulfanylpropanoic acid Traditional Name: 3-[[(2-amino-5-nitro-phenyl)-(2-chlorophenyl)methyl]thio]propionic acid Formula: C16H15ClN2O4S MolecularWeight: 366.8193

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(C2=C(C=CC(=C2)[N+](=O)[O-])N)SCCC(=O)O)Cl

Isomeric SMILES

C1=CC=C(C(=C1)C(C2=C(C=CC(=C2)[N+](=O)[O-])N)SCCC(=O)O)Cl

InChI

InChI=1S/C16H15ClN2O4S/c17-13-4-2-1-3-11(13)16(24-8-7-15(20)21)12-9-10(19(22)23)5-6-14(12)18/h1-6,9,16H,7-8,18H2,(H,20,21)