6-[3-(3-methylbutyl)-2-(2-nitrophenyl)imino-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one

Systemtic Name: 6-[3-(3-methylbutyl)-2-(2-nitrophenyl)imino-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one Openeye Name: 6-[3-isopentyl-2-(2-nitrophenyl)imino-thiazol-4-yl]-4H-1,4-benzoxazin-3-one CAS Name: 6-[3-(3-methylbutyl)-2-(2-nitrophenyl)imino-4-thiazolyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-[3-(3-methylbutyl)-2-(2-nitrophenyl)imino-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one Traditional Name: 6-[3-isoamyl-2-(2-nitrophenyl)imino-4-thiazolin-4-yl]-4H-1,4-benzoxazin-3-one Formula: C22H22N4O4S MolecularWeight: 438.49948

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=CSC1=NC2=CC=CC=C2[N+](=O)[O-])C3=CC4=C(C=C3)OCC(=O)N4

Isomeric SMILES

CC(C)CCN1C(=CSC1=NC2=CC=CC=C2[N+](=O)[O-])C3=CC4=C(C=C3)OCC(=O)N4

InChI

InChI=1S/C22H22N4O4S/c1-14(2)9-10-25-19(15-7-8-20-17(11-15)23-21(27)12-30-20)13-31-22(25)24-16-5-3-4-6-18(16)26(28)29/h3-8,11,13-14H,9-10,12H2,1-2H3,(H,23,27)