methyl 6-[2-(2-methylpropanoylamino)phenyl]sulfanyl-5-nitro-pyridine-3-carboxylate

Systemtic Name: methyl 6-[2-(2-methylpropanoylamino)phenyl]sulfanyl-5-nitro-pyridine-3-carboxylate Openeye Name: methyl 6-[2-(2-methylpropanoylamino)phenyl]sulfanyl-5-nitro-pyridine-3-carboxylate CAS Name: 6-[[2-[(2-methyl-1-oxopropyl)amino]phenyl]thio]-5-nitro-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 6-[2-(2-methylpropanoylamino)phenyl]sulfanyl-5-nitropyridine-3-carboxylate Traditional Name: 6-[[2-(isobutyrylamino)phenyl]thio]-5-nitro-nicotinic acid methyl ester Formula: C17H17N3O5S MolecularWeight: 375.39898

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC1=CC=CC=C1SC2=C(C=C(C=N2)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CC(C)C(=O)NC1=CC=CC=C1SC2=C(C=C(C=N2)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C17H17N3O5S/c1-10(2)15(21)19-12-6-4-5-7-14(12)26-16-13(20(23)24)8-11(9-18-16)17(22)25-3/h4-10H,1-3H3,(H,19,21)