3-[(5-nitrofuran-2-yl)methylamino]-3-thiophen-2-yl-propanoic acid

Systemtic Name: 3-[(5-nitrofuran-2-yl)methylamino]-3-thiophen-2-yl-propanoic acid Openeye Name: 3-[(5-nitro-2-furyl)methylamino]-3-(2-thienyl)propanoic acid CAS Name: 3-[(5-nitro-2-furanyl)methylamino]-3-thiophen-2-ylpropanoic acid IUPAC Name: 3-[(5-nitrofuran-2-yl)methylamino]-3-thiophen-2-ylpropanoic acid Traditional Name: 3-[(5-nitro-2-furyl)methylamino]-3-(2-thienyl)propionic acid Formula: C12H12N2O5S MolecularWeight: 296.29908

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C(CC(=O)O)NCC2=CC=C(O2)[N+](=O)[O-]

Isomeric SMILES

C1=CSC(=C1)C(CC(=O)O)NCC2=CC=C(O2)[N+](=O)[O-]

InChI

InChI=1S/C12H12N2O5S/c15-12(16)6-9(10-2-1-5-20-10)13-7-8-3-4-11(19-8)14(17)18/h1-5,9,13H,6-7H2,(H,15,16)