N-[(4-fluorophenyl)-thiophen-2-yl-methyl]-2-(6-nitro-3-oxidanylidene-1,4-benzoxazin-4-yl)ethanamide

Systemtic Name: N-[(4-fluorophenyl)-thiophen-2-yl-methyl]-2-(6-nitro-3-oxidanylidene-1,4-benzoxazin-4-yl)ethanamide Openeye Name: N-[(4-fluorophenyl)-(2-thienyl)methyl]-2-(6-nitro-3-oxo-1,4-benzoxazin-4-yl)acetamide CAS Name: N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-2-(6-nitro-3-oxo-1,4-benzoxazin-4-yl)acetamide IUPAC Name: N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-2-(6-nitro-3-oxo-1,4-benzoxazin-4-yl)acetamide Traditional Name: N-[(4-fluorophenyl)-(2-thienyl)methyl]-2-(3-keto-6-nitro-1,4-benzoxazin-4-yl)acetamide Formula: C21H16FN3O5S MolecularWeight: 441.432243

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H16FN3O5S/c22-14-5-3-13(4-6-14)21(18-2-1-9-31-18)23-19(26)11-24-16-10-15(25(28)29)7-8-17(16)30-12-20(24)27/h1-10,21H,11-12H2,(H,23,26)