methyl 2-[(2-azanyl-5-nitro-phenyl)-phenyl-methyl]sulfanylethanoate

Systemtic Name: methyl 2-[(2-azanyl-5-nitro-phenyl)-phenyl-methyl]sulfanylethanoate Openeye Name: methyl 2-[(2-amino-5-nitro-phenyl)-phenyl-methyl]sulfanylacetate CAS Name: 2-[[(2-amino-5-nitrophenyl)-phenylmethyl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[(2-amino-5-nitrophenyl)-phenylmethyl]sulfanylacetate Traditional Name: 2-[[(2-amino-5-nitro-phenyl)-phenyl-methyl]thio]acetic acid methyl ester Formula: C16H16N2O4S MolecularWeight: 332.37424

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16N2O4S/c1-22-15(19)10-23-16(11-5-3-2-4-6-11)13-9-12(18(20)21)7-8-14(13)17/h2-9,16H,10,17H2,1H3