5-(5-chloranylthiophen-2-yl)-7-nitro-1-(1,2-oxazol-3-ylmethyl)indole-2-carboxylic acid

Systemtic Name: 5-(5-chloranylthiophen-2-yl)-7-nitro-1-(1,2-oxazol-3-ylmethyl)indole-2-carboxylic acid Openeye Name: 5-(5-chloro-2-thienyl)-1-(isoxazol-3-ylmethyl)-7-nitro-indole-2-carboxylic acid CAS Name: 5-(5-chloro-2-thiophenyl)-1-(3-isoxazolylmethyl)-7-nitro-2-indolecarboxylic acid IUPAC Name: 5-(5-chlorothiophen-2-yl)-7-nitro-1-(1,2-oxazol-3-ylmethyl)indole-2-carboxylic acid Traditional Name: 5-(5-chloro-2-thienyl)-1-(isoxazol-3-ylmethyl)-7-nitro-indole-2-carboxylic acid Formula: C17H10ClN3O5S MolecularWeight: 403.7964

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Descriptors Computed from Structure

Canonical SMILES:

C1=CON=C1CN2C(=CC3=CC(=CC(=C32)[N+](=O)[O-])C4=CC=C(S4)Cl)C(=O)O

Isomeric SMILES

C1=CON=C1CN2C(=CC3=CC(=CC(=C32)[N+](=O)[O-])C4=CC=C(S4)Cl)C(=O)O

InChI

InChI=1S/C17H10ClN3O5S/c18-15-2-1-14(27-15)9-5-10-7-13(17(22)23)20(8-11-3-4-26-19-11)16(10)12(6-9)21(24)25/h1-7H,8H2,(H,22,23)