(3E)-3-[(5-methyl-1H-imidazol-4-yl)methylidene]-5-nitro-4-(3-oxidanylpent-1-ynyl)-1H-indol-2-one

Systemtic Name: (3E)-3-[(5-methyl-1H-imidazol-4-yl)methylidene]-5-nitro-4-(3-oxidanylpent-1-ynyl)-1H-indol-2-one Openeye Name: (3E)-4-(3-hydroxypent-1-ynyl)-3-[(5-methyl-1H-imidazol-4-yl)methylene]-5-nitro-indolin-2-one CAS Name: (3E)-4-(3-hydroxypent-1-ynyl)-3-[(5-methyl-1H-imidazol-4-yl)methylidene]-5-nitro-1H-indol-2-one IUPAC Name: (3E)-4-(3-hydroxypent-1-ynyl)-3-[(5-methyl-1H-imidazol-4-yl)methylidene]-5-nitro-1H-indol-2-one Traditional Name: (3E)-4-(3-hydroxypent-1-ynyl)-3-[(5-methyl-1H-imidazol-4-yl)methylene]-5-nitro-oxindole Formula: C18H16N4O4 MolecularWeight: 352.34404

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C#CC1=C(C=CC2=C1C(=CC3=C(NC=N3)C)C(=O)N2)[N+](=O)[O-])O

Isomeric SMILES

CCC(C#CC1=C(C=CC2=C1/C(=C\C3=C(NC=N3)C)/C(=O)N2)[N+](=O)[O-])O

InChI

InChI=1S/C18H16N4O4/c1-3-11(23)4-5-12-16(22(25)26)7-6-14-17(12)13(18(24)21-14)8-15-10(2)19-9-20-15/h6-9,11,23H,3H2,1-2H3,(H,19,20)(H,21,24)/b13-8+