6-[3-(2-ethylhexyl)-2-(2-nitrophenyl)imino-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one

Systemtic Name: 6-[3-(2-ethylhexyl)-2-(2-nitrophenyl)imino-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one Openeye Name: 6-[3-(2-ethylhexyl)-2-(2-nitrophenyl)imino-thiazol-4-yl]-4H-1,4-benzoxazin-3-one CAS Name: 6-[3-(2-ethylhexyl)-2-(2-nitrophenyl)imino-4-thiazolyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-[3-(2-ethylhexyl)-2-(2-nitrophenyl)imino-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one Traditional Name: 6-[3-(2-ethylhexyl)-2-(2-nitrophenyl)imino-4-thiazolin-4-yl]-4H-1,4-benzoxazin-3-one Formula: C25H28N4O4S MolecularWeight: 480.57922

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CN1C(=CSC1=NC2=CC=CC=C2[N+](=O)[O-])C3=CC4=C(C=C3)OCC(=O)N4

Isomeric SMILES

CCCCC(CC)CN1C(=CSC1=NC2=CC=CC=C2[N+](=O)[O-])C3=CC4=C(C=C3)OCC(=O)N4

InChI

InChI=1S/C25H28N4O4S/c1-3-5-8-17(4-2)14-28-22(18-11-12-23-20(13-18)26-24(30)15-33-23)16-34-25(28)27-19-9-6-7-10-21(19)29(31)32/h6-7,9-13,16-17H,3-5,8,14-15H2,1-2H3,(H,26,30)