(5E)-2-azanyl-5-[[3-(2,4-dinitrophenoxy)-4-methoxy-phenyl]methylidene]-1,3-thiazol-4-one

Systemtic Name: (5E)-2-azanyl-5-[[3-(2,4-dinitrophenoxy)-4-methoxy-phenyl]methylidene]-1,3-thiazol-4-one Openeye Name: (5E)-2-amino-5-[[3-(2,4-dinitrophenoxy)-4-methoxy-phenyl]methylene]thiazol-4-one CAS Name: (5E)-2-amino-5-[[3-(2,4-dinitrophenoxy)-4-methoxyphenyl]methylidene]-4-thiazolone IUPAC Name: (5E)-2-amino-5-[[3-(2,4-dinitrophenoxy)-4-methoxyphenyl]methylidene]-1,3-thiazol-4-one Traditional Name: (5E)-2-amino-5-[3-(2,4-dinitrophenoxy)-4-methoxy-benzylidene]-2-thiazolin-4-one Formula: C17H12N4O7S MolecularWeight: 416.36478

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=C2C(=O)N=C(S2)N)OC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C/2\C(=O)N=C(S2)N)OC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C17H12N4O7S/c1-27-13-4-2-9(7-15-16(22)19-17(18)29-15)6-14(13)28-12-5-3-10(20(23)24)8-11(12)21(25)26/h2-8H,1H3,(H2,18,19,22)/b15-7+