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

Systemtic Name: 6-[3-cyclopentyl-2-(2-nitrophenyl)imino-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one Openeye Name: 6-[3-cyclopentyl-2-(2-nitrophenyl)imino-thiazol-4-yl]-4H-1,4-benzoxazin-3-one CAS Name: 6-[3-cyclopentyl-2-(2-nitrophenyl)imino-4-thiazolyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-[3-cyclopentyl-2-(2-nitrophenyl)imino-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one Traditional Name: 6-[3-cyclopentyl-2-(2-nitrophenyl)imino-4-thiazolin-4-yl]-4H-1,4-benzoxazin-3-one Formula: C22H20N4O4S MolecularWeight: 436.4836

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C(=CSC2=NC3=CC=CC=C3[N+](=O)[O-])C4=CC5=C(C=C4)OCC(=O)N5

Isomeric SMILES

C1CCC(C1)N2C(=CSC2=NC3=CC=CC=C3[N+](=O)[O-])C4=CC5=C(C=C4)OCC(=O)N5

InChI

InChI=1S/C22H20N4O4S/c27-21-12-30-20-10-9-14(11-17(20)23-21)19-13-31-22(25(19)15-5-1-2-6-15)24-16-7-3-4-8-18(16)26(28)29/h3-4,7-11,13,15H,1-2,5-6,12H2,(H,23,27)