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

Systemtic Name: 6-[3-[(4-nitrophenyl)methylideneamino]-2-prop-2-enylimino-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one Openeye Name: 6-[2-allylimino-3-[(4-nitrophenyl)methyleneamino]thiazol-4-yl]-4H-1,4-benzoxazin-3-one CAS Name: 6-[3-[(4-nitrophenyl)methylideneamino]-2-prop-2-enylimino-4-thiazolyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-[3-[(4-nitrophenyl)methylideneamino]-2-prop-2-enylimino-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one Traditional Name: 6-[2-allylimino-3-[(4-nitrobenzylidene)amino]-4-thiazolin-4-yl]-4H-1,4-benzoxazin-3-one Formula: C21H17N5O4S MolecularWeight: 435.45578

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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=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C21H17N5O4S/c1-2-9-22-21-25(23-11-14-3-6-16(7-4-14)26(28)29)18(13-31-21)15-5-8-19-17(10-15)24-20(27)12-30-19/h2-8,10-11,13H,1,9,12H2,(H,24,27)