6-[3-[(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-2-prop-2-enylimino-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one

Systemtic Name: 6-[3-[(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-2-prop-2-enylimino-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one Openeye Name: 6-[2-allylimino-3-[(6-nitro-1,3-benzodioxol-5-yl)methyleneamino]thiazol-4-yl]-4H-1,4-benzoxazin-3-one CAS Name: 6-[3-[(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-2-prop-2-enylimino-4-thiazolyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-[3-[(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-2-prop-2-enylimino-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one Traditional Name: 6-[2-allylimino-3-[(6-nitro-1,3-benzodioxol-5-yl)methyleneamino]-4-thiazolin-4-yl]-4H-1,4-benzoxazin-3-one Formula: C22H17N5O6S MolecularWeight: 479.46528

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN=C1N(C(=CS1)C2=CC3=C(C=C2)OCC(=O)N3)N=CC4=CC5=C(C=C4[N+](=O)[O-])OCO5

Isomeric SMILES

C=CCN=C1N(C(=CS1)C2=CC3=C(C=C2)OCC(=O)N3)N=CC4=CC5=C(C=C4[N+](=O)[O-])OCO5

InChI

InChI=1S/C22H17N5O6S/c1-2-5-23-22-26(24-9-14-7-19-20(33-12-32-19)8-16(14)27(29)30)17(11-34-22)13-3-4-18-15(6-13)25-21(28)10-31-18/h2-4,6-9,11H,1,5,10,12H2,(H,25,28)