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

Systemtic Name: 6-[3-butyl-2-(2-nitrophenyl)imino-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one Openeye Name: 6-[3-butyl-2-(2-nitrophenyl)imino-thiazol-4-yl]-4H-1,4-benzoxazin-3-one CAS Name: 6-[3-butyl-2-(2-nitrophenyl)imino-4-thiazolyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-[3-butyl-2-(2-nitrophenyl)imino-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one Traditional Name: 6-[3-butyl-2-(2-nitrophenyl)imino-4-thiazolin-4-yl]-4H-1,4-benzoxazin-3-one Formula: C21H20N4O4S MolecularWeight: 424.4729

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=CSC1=NC2=CC=CC=C2[N+](=O)[O-])C3=CC4=C(C=C3)OCC(=O)N4

Isomeric SMILES

CCCCN1C(=CSC1=NC2=CC=CC=C2[N+](=O)[O-])C3=CC4=C(C=C3)OCC(=O)N4

InChI

InChI=1S/C21H20N4O4S/c1-2-3-10-24-18(14-8-9-19-16(11-14)22-20(26)12-29-19)13-30-21(24)23-15-6-4-5-7-17(15)25(27)28/h4-9,11,13H,2-3,10,12H2,1H3,(H,22,26)