6-[2-(4-nitro-2-thiophen-2-yl-phenoxy)ethanoyl]-4H-1,4-benzoxazin-3-one

Systemtic Name: 6-[2-(4-nitro-2-thiophen-2-yl-phenoxy)ethanoyl]-4H-1,4-benzoxazin-3-one Openeye Name: 6-[2-[4-nitro-2-(2-thienyl)phenoxy]acetyl]-4H-1,4-benzoxazin-3-one CAS Name: 6-[2-(4-nitro-2-thiophen-2-ylphenoxy)-1-oxoethyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-[2-(4-nitro-2-thiophen-2-ylphenoxy)acetyl]-4H-1,4-benzoxazin-3-one Traditional Name: 6-[2-[4-nitro-2-(2-thienyl)phenoxy]acetyl]-4H-1,4-benzoxazin-3-one Formula: C20H14N2O6S MolecularWeight: 410.39996

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)NC2=C(O1)C=CC(=C2)C(=O)COC3=C(C=C(C=C3)[N+](=O)[O-])C4=CC=CS4

Isomeric SMILES

C1C(=O)NC2=C(O1)C=CC(=C2)C(=O)COC3=C(C=C(C=C3)[N+](=O)[O-])C4=CC=CS4

InChI

InChI=1S/C20H14N2O6S/c23-16(12-3-5-18-15(8-12)21-20(24)11-28-18)10-27-17-6-4-13(22(25)26)9-14(17)19-2-1-7-29-19/h1-9H,10-11H2,(H,21,24)