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

Systemtic Name: 2-[[(2-methoxyphenyl)amino]-(3-nitrophenyl)methyl]sulfanylethanoic acid Openeye Name: 2-[(2-methoxyanilino)-(3-nitrophenyl)methyl]sulfanylacetic acid CAS Name: 2-[[(2-methoxyanilino)-(3-nitrophenyl)methyl]thio]acetic acid IUPAC Name: 2-[(2-methoxyanilino)-(3-nitrophenyl)methyl]sulfanylacetic acid Traditional Name: 2-[[(3-nitrophenyl)-(o-anisidino)methyl]thio]acetic acid Formula: C16H16N2O5S MolecularWeight: 348.37364

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NC(C2=CC(=CC=C2)[N+](=O)[O-])SCC(=O)O

Isomeric SMILES

COC1=CC=CC=C1NC(C2=CC(=CC=C2)[N+](=O)[O-])SCC(=O)O

InChI

InChI=1S/C16H16N2O5S/c1-23-14-8-3-2-7-13(14)17-16(24-10-15(19)20)11-5-4-6-12(9-11)18(21)22/h2-9,16-17H,10H2,1H3,(H,19,20)