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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)[N+](=O)[O-])N(C(=C2)C(=O)O)CC3=NOC(=C3)C4=CC=C(S4)Cl

Isomeric SMILES

C1=CC2=C(C(=C1)[N+](=O)[O-])N(C(=C2)C(=O)O)CC3=NOC(=C3)C4=CC=C(S4)Cl

InChI

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