5-(3-nitrophenyl)-3-(4-phenoxybutanoylamino)thiophene-2-carboxylate

Systemtic Name: 5-(3-nitrophenyl)-3-(4-phenoxybutanoylamino)thiophene-2-carboxylate Openeye Name: 5-(3-nitrophenyl)-3-(4-phenoxybutanoylamino)thiophene-2-carboxylate CAS Name: 5-(3-nitrophenyl)-3-[(1-oxo-4-phenoxybutyl)amino]-2-thiophenecarboxylate IUPAC Name: 5-(3-nitrophenyl)-3-(4-phenoxybutanoylamino)thiophene-2-carboxylate Traditional Name: 5-(3-nitrophenyl)-3-(4-phenoxybutanoylamino)-2-thenoate Formula: C21H17N2O6S- MolecularWeight: 425.43448

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCCCC(=O)NC2=C(SC(=C2)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)OCCCC(=O)NC2=C(SC(=C2)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)[O-]

InChI

InChI=1S/C21H18N2O6S/c24-19(10-5-11-29-16-8-2-1-3-9-16)22-17-13-18(30-20(17)21(25)26)14-6-4-7-15(12-14)23(27)28/h1-4,6-9,12-13H,5,10-11H2,(H,22,24)(H,25,26)/p-1