ethyl 2-[2-(2-nitropyridin-3-yl)oxypropanoylamino]-4-phenyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-(2-nitropyridin-3-yl)oxypropanoylamino]-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[2-[(2-nitro-3-pyridyl)oxy]propanoylamino]-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[2-[(2-nitro-3-pyridinyl)oxy]-1-oxopropyl]amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[2-(2-nitropyridin-3-yl)oxypropanoylamino]-4-phenylthiophene-3-carboxylate Traditional Name: 2-[2-[(2-nitro-3-pyridyl)oxy]propanoylamino]-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C21H19N3O6S MolecularWeight: 441.45706

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)C(C)OC3=C(N=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)C(C)OC3=C(N=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H19N3O6S/c1-3-29-21(26)17-15(14-8-5-4-6-9-14)12-31-20(17)23-19(25)13(2)30-16-10-7-11-22-18(16)24(27)28/h4-13H,3H2,1-2H3,(H,23,25)