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

Systemtic Name: 6-[3-(cyclooctylideneamino)-2-(2-nitrophenyl)imino-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one Openeye Name: 6-[3-(cyclooctylideneamino)-2-(2-nitrophenyl)imino-thiazol-4-yl]-4H-1,4-benzoxazin-3-one CAS Name: 6-[3-(cyclooctylideneamino)-2-(2-nitrophenyl)imino-4-thiazolyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-[3-(cyclooctylideneamino)-2-(2-nitrophenyl)imino-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one Traditional Name: 6-[3-(cyclooctylideneamino)-2-(2-nitrophenyl)imino-4-thiazolin-4-yl]-4H-1,4-benzoxazin-3-one Formula: C25H25N5O4S MolecularWeight: 491.5621

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(=NN2C(=CSC2=NC3=CC=CC=C3[N+](=O)[O-])C4=CC5=C(C=C4)OCC(=O)N5)CCC1

Isomeric SMILES

C1CCCC(=NN2C(=CSC2=NC3=CC=CC=C3[N+](=O)[O-])C4=CC5=C(C=C4)OCC(=O)N5)CCC1

InChI

InChI=1S/C25H25N5O4S/c31-24-15-34-23-13-12-17(14-20(23)26-24)22-16-35-25(27-19-10-6-7-11-21(19)30(32)33)29(22)28-18-8-4-2-1-3-5-9-18/h6-7,10-14,16H,1-5,8-9,15H2,(H,26,31)