4-[(5-nitroindol-1-yl)methyl]-1,3-thiazole-2-carboxylic acid

Systemtic Name: 4-[(5-nitroindol-1-yl)methyl]-1,3-thiazole-2-carboxylic acid Openeye Name: 4-[(5-nitroindol-1-yl)methyl]thiazole-2-carboxylic acid CAS Name: 4-[(5-nitro-1-indolyl)methyl]-2-thiazolecarboxylic acid IUPAC Name: 4-[(5-nitroindol-1-yl)methyl]-1,3-thiazole-2-carboxylic acid Traditional Name: 4-[(5-nitroindol-1-yl)methyl]thiazole-2-carboxylic acid Formula: C13H9N3O4S MolecularWeight: 303.29326

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CN2CC3=CSC(=N3)C(=O)O)C=C1[N+](=O)[O-]

Isomeric SMILES

C1=CC2=C(C=CN2CC3=CSC(=N3)C(=O)O)C=C1[N+](=O)[O-]

InChI

InChI=1S/C13H9N3O4S/c17-13(18)12-14-9(7-21-12)6-15-4-3-8-5-10(16(19)20)1-2-11(8)15/h1-5,7H,6H2,(H,17,18)