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

Systemtic Name: 6-[3-[(4-chloranyl-3-nitro-phenyl)methylideneamino]-2-propan-2-ylimino-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one Openeye Name: 6-[3-[(4-chloro-3-nitro-phenyl)methyleneamino]-2-isopropylimino-thiazol-4-yl]-4H-1,4-benzoxazin-3-one CAS Name: 6-[3-[(4-chloro-3-nitrophenyl)methylideneamino]-2-propan-2-ylimino-4-thiazolyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-[3-[(4-chloro-3-nitrophenyl)methylideneamino]-2-propan-2-ylimino-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one Traditional Name: 6-[3-[(4-chloro-3-nitro-benzylidene)amino]-2-isopropylimino-4-thiazolin-4-yl]-4H-1,4-benzoxazin-3-one Formula: C21H18ClN5O4S MolecularWeight: 471.91672

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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)Cl)[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)Cl)[N+](=O)[O-]

InChI

InChI=1S/C21H18ClN5O4S/c1-12(2)24-21-26(23-9-13-3-5-15(22)17(7-13)27(29)30)18(11-32-21)14-4-6-19-16(8-14)25-20(28)10-31-19/h3-9,11-12H,10H2,1-2H3,(H,25,28)