2-[(3-methoxy-4-oxidanyl-phenyl)-[(3-nitrophenyl)amino]methyl]sulfanylethanoic acid

Systemtic Name: 2-[(3-methoxy-4-oxidanyl-phenyl)-[(3-nitrophenyl)amino]methyl]sulfanylethanoic acid Openeye Name: 2-[(4-hydroxy-3-methoxy-phenyl)-(3-nitroanilino)methyl]sulfanylacetic acid CAS Name: 2-[[(4-hydroxy-3-methoxyphenyl)-(3-nitroanilino)methyl]thio]acetic acid IUPAC Name: 2-[(4-hydroxy-3-methoxyphenyl)-(3-nitroanilino)methyl]sulfanylacetic acid Traditional Name: 2-[[(4-hydroxy-3-methoxy-phenyl)-(3-nitroanilino)methyl]thio]acetic acid Formula: C16H16N2O6S MolecularWeight: 364.37304

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(NC2=CC(=CC=C2)[N+](=O)[O-])SCC(=O)O)O

Isomeric SMILES

COC1=C(C=CC(=C1)C(NC2=CC(=CC=C2)[N+](=O)[O-])SCC(=O)O)O

InChI

InChI=1S/C16H16N2O6S/c1-24-14-7-10(5-6-13(14)19)16(25-9-15(20)21)17-11-3-2-4-12(8-11)18(22)23/h2-8,16-17,19H,9H2,1H3,(H,20,21)