5-(2-nitrophenyl)carbonyl-2H-1,2,3-triazole-4-carboxylate

Systemtic Name: 5-(2-nitrophenyl)carbonyl-2H-1,2,3-triazole-4-carboxylate Openeye Name: 5-(2-nitrobenzoyl)-2H-triazole-4-carboxylate CAS Name: 5-[(2-nitrophenyl)-oxomethyl]-2H-triazole-4-carboxylate IUPAC Name: 5-(2-nitrobenzoyl)-2H-triazole-4-carboxylate Traditional Name: 5-(2-nitrobenzoyl)-2H-triazole-4-carboxylate Formula: C10H5N4O5- MolecularWeight: 261.1705

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)C2=NNN=C2C(=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)C2=NNN=C2C(=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C10H6N4O5/c15-9(7-8(10(16)17)12-13-11-7)5-3-1-2-4-6(5)14(18)19/h1-4H,(H,16,17)(H,11,12,13)/p-1