1-[[5-(5-chloranylthiophen-2-yl)-1,2-oxazol-3-yl]methyl]-5,7-dinitro-indole-2-carboxylic acid

Systemtic Name: 1-[[5-(5-chloranylthiophen-2-yl)-1,2-oxazol-3-yl]methyl]-5,7-dinitro-indole-2-carboxylic acid Openeye Name: 1-[[5-(5-chloro-2-thienyl)isoxazol-3-yl]methyl]-5,7-dinitro-indole-2-carboxylic acid CAS Name: 1-[[5-(5-chloro-2-thiophenyl)-3-isoxazolyl]methyl]-5,7-dinitro-2-indolecarboxylic acid IUPAC Name: 1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-5,7-dinitroindole-2-carboxylic acid Traditional Name: 1-[[5-(5-chloro-2-thienyl)isoxazol-3-yl]methyl]-5,7-dinitro-indole-2-carboxylic acid Formula: C17H9ClN4O7S MolecularWeight: 448.79396

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(SC(=C1)Cl)C2=CC(=NO2)CN3C(=CC4=CC(=CC(=C43)[N+](=O)[O-])[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1=C(SC(=C1)Cl)C2=CC(=NO2)CN3C(=CC4=CC(=CC(=C43)[N+](=O)[O-])[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C17H9ClN4O7S/c18-15-2-1-14(30-15)13-5-9(19-29-13)7-20-12(17(23)24)4-8-3-10(21(25)26)6-11(16(8)20)22(27)28/h1-6H,7H2,(H,23,24)