ethyl 7-nitro-3-oxidanidyl-2-phenyl-benzotriazol-3-ium-5-carboxylate

Systemtic Name: ethyl 7-nitro-3-oxidanidyl-2-phenyl-benzotriazol-3-ium-5-carboxylate Openeye Name: ethyl 7-nitro-3-oxido-2-phenyl-benzotriazol-3-ium-5-carboxylate CAS Name: 7-nitro-3-oxido-2-phenyl-5-benzotriazol-3-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 7-nitro-3-oxido-2-phenylbenzotriazol-3-ium-5-carboxylate Traditional Name: 7-nitro-3-oxido-2-phenyl-benzotriazol-3-ium-5-carboxylic acid ethyl ester Formula: C15H12N4O5 MolecularWeight: 328.27958

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=[N+](N(N=C2C(=C1)[N+](=O)[O-])C3=CC=CC=C3)[O-]

Isomeric SMILES

CCOC(=O)C1=CC2=[N+](N(N=C2C(=C1)[N+](=O)[O-])C3=CC=CC=C3)[O-]

InChI

InChI=1S/C15H12N4O5/c1-2-24-15(20)10-8-12-14(13(9-10)19(22)23)16-17(18(12)21)11-6-4-3-5-7-11/h3-9H,2H2,1H3