4-(3-nitrophenyl)carbonyl-2-phenyl-1,3-thiazole-5-carboxylic acid

Systemtic Name: 4-(3-nitrophenyl)carbonyl-2-phenyl-1,3-thiazole-5-carboxylic acid Openeye Name: 4-(3-nitrobenzoyl)-2-phenyl-thiazole-5-carboxylic acid CAS Name: 4-[(3-nitrophenyl)-oxomethyl]-2-phenyl-5-thiazolecarboxylic acid IUPAC Name: 4-(3-nitrobenzoyl)-2-phenyl-1,3-thiazole-5-carboxylic acid Traditional Name: 4-(3-nitrobenzoyl)-2-phenyl-thiazole-5-carboxylic acid Formula: C17H10N2O5S MolecularWeight: 354.3367

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H10N2O5S/c20-14(11-7-4-8-12(9-11)19(23)24)13-15(17(21)22)25-16(18-13)10-5-2-1-3-6-10/h1-9H,(H,21,22)