2-[(2-azanyl-5-nitro-phenyl)-phenyl-methyl]sulfanylethanoic acid

Systemtic Name: 2-[(2-azanyl-5-nitro-phenyl)-phenyl-methyl]sulfanylethanoic acid Openeye Name: 2-[(2-amino-5-nitro-phenyl)-phenyl-methyl]sulfanylacetic acid CAS Name: 2-[[(2-amino-5-nitrophenyl)-phenylmethyl]thio]acetic acid IUPAC Name: 2-[(2-amino-5-nitrophenyl)-phenylmethyl]sulfanylacetic acid Traditional Name: 2-[[(2-amino-5-nitro-phenyl)-phenyl-methyl]thio]acetic acid Formula: C15H14N2O4S MolecularWeight: 318.34766

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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)SCC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C15H14N2O4S/c16-13-7-6-11(17(20)21)8-12(13)15(22-9-14(18)19)10-4-2-1-3-5-10/h1-8,15H,9,16H2,(H,18,19)