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

Systemtic Name: 6-[3-(2-methylpropyl)-2-(2-nitrophenyl)imino-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one Openeye Name: 6-[3-isobutyl-2-(2-nitrophenyl)imino-thiazol-4-yl]-4H-1,4-benzoxazin-3-one CAS Name: 6-[3-(2-methylpropyl)-2-(2-nitrophenyl)imino-4-thiazolyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-[3-(2-methylpropyl)-2-(2-nitrophenyl)imino-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one Traditional Name: 6-[3-isobutyl-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:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N4O4S/c1-13(2)10-24-18(14-7-8-19-16(9-14)22-20(26)11-29-19)12-30-21(24)23-15-5-3-4-6-17(15)25(27)28/h3-9,12-13H,10-11H2,1-2H3,(H,22,26)