N-(4-cyclopentylsulfanylphenyl)-2-(6-nitro-3-oxidanylidene-1,4-benzoxazin-4-yl)ethanamide

Systemtic Name: N-(4-cyclopentylsulfanylphenyl)-2-(6-nitro-3-oxidanylidene-1,4-benzoxazin-4-yl)ethanamide Openeye Name: N-(4-cyclopentylsulfanylphenyl)-2-(6-nitro-3-oxo-1,4-benzoxazin-4-yl)acetamide CAS Name: N-[4-(cyclopentylthio)phenyl]-2-(6-nitro-3-oxo-1,4-benzoxazin-4-yl)acetamide IUPAC Name: N-(4-cyclopentylsulfanylphenyl)-2-(6-nitro-3-oxo-1,4-benzoxazin-4-yl)acetamide Traditional Name: N-[4-(cyclopentylthio)phenyl]-2-(3-keto-6-nitro-1,4-benzoxazin-4-yl)acetamide Formula: C21H21N3O5S MolecularWeight: 427.47354

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)SC2=CC=C(C=C2)NC(=O)CN3C(=O)COC4=C3C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCC(C1)SC2=CC=C(C=C2)NC(=O)CN3C(=O)COC4=C3C=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H21N3O5S/c25-20(22-14-5-8-17(9-6-14)30-16-3-1-2-4-16)12-23-18-11-15(24(27)28)7-10-19(18)29-13-21(23)26/h5-11,16H,1-4,12-13H2,(H,22,25)