2-[[(3-nitrophenyl)amino]-phenyl-methyl]sulfanylethanoic acid

Systemtic Name: 2-[[(3-nitrophenyl)amino]-phenyl-methyl]sulfanylethanoic acid Openeye Name: 2-[(3-nitroanilino)-phenyl-methyl]sulfanylacetic acid CAS Name: 2-[[(3-nitroanilino)-phenylmethyl]thio]acetic acid IUPAC Name: 2-[(3-nitroanilino)-phenylmethyl]sulfanylacetic acid Traditional Name: 2-[[(3-nitroanilino)-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(NC2=CC(=CC=C2)[N+](=O)[O-])SCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C(NC2=CC(=CC=C2)[N+](=O)[O-])SCC(=O)O

InChI

InChI=1S/C15H14N2O4S/c18-14(19)10-22-15(11-5-2-1-3-6-11)16-12-7-4-8-13(9-12)17(20)21/h1-9,15-16H,10H2,(H,18,19)