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

Systemtic Name: 1-[[5-(5-chloranylthiophen-2-yl)-1,2-oxazol-3-yl]methyl]-5-nitro-3-phenyl-indole-2-carboxylic acid Openeye Name: 1-[[5-(5-chloro-2-thienyl)isoxazol-3-yl]methyl]-5-nitro-3-phenyl-indole-2-carboxylic acid CAS Name: 1-[[5-(5-chloro-2-thiophenyl)-3-isoxazolyl]methyl]-5-nitro-3-phenyl-2-indolecarboxylic acid IUPAC Name: 1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-5-nitro-3-phenylindole-2-carboxylic acid Traditional Name: 1-[[5-(5-chloro-2-thienyl)isoxazol-3-yl]methyl]-5-nitro-3-phenyl-indole-2-carboxylic acid Formula: C23H14ClN3O5S MolecularWeight: 479.89236

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(N(C3=C2C=C(C=C3)[N+](=O)[O-])CC4=NOC(=C4)C5=CC=C(S5)Cl)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=C(N(C3=C2C=C(C=C3)[N+](=O)[O-])CC4=NOC(=C4)C5=CC=C(S5)Cl)C(=O)O

InChI

InChI=1S/C23H14ClN3O5S/c24-20-9-8-19(33-20)18-10-14(25-32-18)12-26-17-7-6-15(27(30)31)11-16(17)21(22(26)23(28)29)13-4-2-1-3-5-13/h1-11H,12H2,(H,28,29)