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

Systemtic Name: 6-[2-(2-nitrophenyl)imino-3-propan-2-yl-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one Openeye Name: 6-[3-isopropyl-2-(2-nitrophenyl)imino-thiazol-4-yl]-4H-1,4-benzoxazin-3-one CAS Name: 6-[2-(2-nitrophenyl)imino-3-propan-2-yl-4-thiazolyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-[2-(2-nitrophenyl)imino-3-propan-2-yl-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one Traditional Name: 6-[3-isopropyl-2-(2-nitrophenyl)imino-4-thiazolin-4-yl]-4H-1,4-benzoxazin-3-one Formula: C20H18N4O4S MolecularWeight: 410.44632

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=CSC1=NC2=CC=CC=C2[N+](=O)[O-])C3=CC4=C(C=C3)OCC(=O)N4

Isomeric SMILES

CC(C)N1C(=CSC1=NC2=CC=CC=C2[N+](=O)[O-])C3=CC4=C(C=C3)OCC(=O)N4

InChI

InChI=1S/C20H18N4O4S/c1-12(2)23-17(13-7-8-18-15(9-13)21-19(25)10-28-18)11-29-20(23)22-14-5-3-4-6-16(14)24(26)27/h3-9,11-12H,10H2,1-2H3,(H,21,25)