(8E)-2-chloranyl-8-[(5-nitro-1,3-thiazol-2-yl)hydrazinylidene]-5-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: (8E)-2-chloranyl-8-[(5-nitro-1,3-thiazol-2-yl)hydrazinylidene]-5-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: (8E)-2-chloro-8-[(5-nitrothiazol-2-yl)hydrazono]-5-oxo-quinoline-3-carboxylic acid CAS Name: (8E)-2-chloro-8-[(5-nitro-2-thiazolyl)hydrazinylidene]-5-oxo-3-quinolinecarboxylic acid IUPAC Name: (8E)-2-chloro-8-[(5-nitro-1,3-thiazol-2-yl)hydrazinylidene]-5-oxoquinoline-3-carboxylic acid Traditional Name: (8E)-2-chloro-5-keto-8-[(5-nitrothiazol-2-yl)hydrazono]quinoline-3-carboxylic acid Formula: C13H6ClN5O5S MolecularWeight: 379.73524

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=O)C2=CC(=C(N=C2C1=NNC3=NC=C(S3)[N+](=O)[O-])Cl)C(=O)O

Isomeric SMILES

C\1=CC(=O)C2=CC(=C(N=C2/C1=N/NC3=NC=C(S3)[N+](=O)[O-])Cl)C(=O)O

InChI

InChI=1S/C13H6ClN5O5S/c14-11-6(12(21)22)3-5-8(20)2-1-7(10(5)16-11)17-18-13-15-4-9(25-13)19(23)24/h1-4H,(H,15,18)(H,21,22)/b17-7+