4-[(3-nitrophenyl)methyl]-2-phenyl-1,3-thiazole-5-carboxylic acid

Systemtic Name: 4-[(3-nitrophenyl)methyl]-2-phenyl-1,3-thiazole-5-carboxylic acid Openeye Name: 4-[(3-nitrophenyl)methyl]-2-phenyl-thiazole-5-carboxylic acid CAS Name: 4-[(3-nitrophenyl)methyl]-2-phenyl-5-thiazolecarboxylic acid IUPAC Name: 4-[(3-nitrophenyl)methyl]-2-phenyl-1,3-thiazole-5-carboxylic acid Traditional Name: 4-(3-nitrobenzyl)-2-phenyl-thiazole-5-carboxylic acid Formula: C17H12N2O4S MolecularWeight: 340.35318

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC(=C(S2)C(=O)O)CC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=NC(=C(S2)C(=O)O)CC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H12N2O4S/c20-17(21)15-14(10-11-5-4-8-13(9-11)19(22)23)18-16(24-15)12-6-2-1-3-7-12/h1-9H,10H2,(H,20,21)