5-nitro-3-[2-oxidanylidene-2-(2-thiophen-2-ylpyrrolidin-1-yl)ethyl]-1,3-benzoxazol-2-one

Systemtic Name: 5-nitro-3-[2-oxidanylidene-2-(2-thiophen-2-ylpyrrolidin-1-yl)ethyl]-1,3-benzoxazol-2-one Openeye Name: 5-nitro-3-[2-oxo-2-[2-(2-thienyl)pyrrolidin-1-yl]ethyl]-1,3-benzoxazol-2-one CAS Name: 5-nitro-3-[2-oxo-2-(2-thiophen-2-yl-1-pyrrolidinyl)ethyl]-1,3-benzoxazol-2-one IUPAC Name: 5-nitro-3-[2-oxo-2-(2-thiophen-2-ylpyrrolidin-1-yl)ethyl]-1,3-benzoxazol-2-one Traditional Name: 3-[2-keto-2-[2-(2-thienyl)pyrrolidino]ethyl]-5-nitro-1,3-benzoxazol-2-one Formula: C17H15N3O5S MolecularWeight: 373.3831

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)CN2C3=C(C=CC(=C3)[N+](=O)[O-])OC2=O)C4=CC=CS4

Isomeric SMILES

C1CC(N(C1)C(=O)CN2C3=C(C=CC(=C3)[N+](=O)[O-])OC2=O)C4=CC=CS4

InChI

InChI=1S/C17H15N3O5S/c21-16(18-7-1-3-12(18)15-4-2-8-26-15)10-19-13-9-11(20(23)24)5-6-14(13)25-17(19)22/h2,4-6,8-9,12H,1,3,7,10H2