6-[3-[(4-nitrophenyl)methylideneamino]-2-propan-2-ylimino-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one

Systemtic Name: 6-[3-[(4-nitrophenyl)methylideneamino]-2-propan-2-ylimino-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one Openeye Name: 6-[2-isopropylimino-3-[(4-nitrophenyl)methyleneamino]thiazol-4-yl]-4H-1,4-benzoxazin-3-one CAS Name: 6-[3-[(4-nitrophenyl)methylideneamino]-2-propan-2-ylimino-4-thiazolyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-[3-[(4-nitrophenyl)methylideneamino]-2-propan-2-ylimino-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one Traditional Name: 6-[2-isopropylimino-3-[(4-nitrobenzylidene)amino]-4-thiazolin-4-yl]-4H-1,4-benzoxazin-3-one Formula: C21H19N5O4S MolecularWeight: 437.47166

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)N=C1N(C(=CS1)C2=CC3=C(C=C2)OCC(=O)N3)N=CC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC(C)N=C1N(C(=CS1)C2=CC3=C(C=C2)OCC(=O)N3)N=CC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H19N5O4S/c1-13(2)23-21-25(22-10-14-3-6-16(7-4-14)26(28)29)18(12-31-21)15-5-8-19-17(9-15)24-20(27)11-30-19/h3-10,12-13H,11H2,1-2H3,(H,24,27)