5-(5-chloranylthiophen-2-yl)-4-nitro-1-(1,2-oxazol-3-ylmethyl)pyrrole-2-carboxylic acid

Systemtic Name: 5-(5-chloranylthiophen-2-yl)-4-nitro-1-(1,2-oxazol-3-ylmethyl)pyrrole-2-carboxylic acid Openeye Name: 5-(5-chloro-2-thienyl)-1-(isoxazol-3-ylmethyl)-4-nitro-pyrrole-2-carboxylic acid CAS Name: 5-(5-chloro-2-thiophenyl)-1-(3-isoxazolylmethyl)-4-nitro-2-pyrrolecarboxylic acid IUPAC Name: 5-(5-chlorothiophen-2-yl)-4-nitro-1-(1,2-oxazol-3-ylmethyl)pyrrole-2-carboxylic acid Traditional Name: 5-(5-chloro-2-thienyl)-1-(isoxazol-3-ylmethyl)-4-nitro-pyrrole-2-carboxylic acid Formula: C13H8ClN3O5S MolecularWeight: 353.73772

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Descriptors Computed from Structure

Canonical SMILES:

C1=CON=C1CN2C(=CC(=C2C3=CC=C(S3)Cl)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1=CON=C1CN2C(=CC(=C2C3=CC=C(S3)Cl)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C13H8ClN3O5S/c14-11-2-1-10(23-11)12-8(17(20)21)5-9(13(18)19)16(12)6-7-3-4-22-15-7/h1-5H,6H2,(H,18,19)