N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2-(6-nitro-3-oxidanylidene-1,4-benzoxazin-4-yl)ethanamide

Systemtic Name: N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2-(6-nitro-3-oxidanylidene-1,4-benzoxazin-4-yl)ethanamide Openeye Name: N-[4-(4-ethylphenyl)thiazol-2-yl]-2-(6-nitro-3-oxo-1,4-benzoxazin-4-yl)acetamide CAS Name: N-[4-(4-ethylphenyl)-2-thiazolyl]-2-(6-nitro-3-oxo-1,4-benzoxazin-4-yl)acetamide IUPAC Name: N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2-(6-nitro-3-oxo-1,4-benzoxazin-4-yl)acetamide Traditional Name: N-[4-(4-ethylphenyl)thiazol-2-yl]-2-(3-keto-6-nitro-1,4-benzoxazin-4-yl)acetamide Formula: C21H18N4O5S MolecularWeight: 438.45642

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)CN3C(=O)COC4=C3C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CCC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)CN3C(=O)COC4=C3C=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H18N4O5S/c1-2-13-3-5-14(6-4-13)16-12-31-21(22-16)23-19(26)10-24-17-9-15(25(28)29)7-8-18(17)30-11-20(24)27/h3-9,12H,2,10-11H2,1H3,(H,22,23,26)