[2-(1,2,4-triazol-4-yliminomethyl)phenyl] 3,5-dinitrobenzoate

Systemtic Name: [2-(1,2,4-triazol-4-yliminomethyl)phenyl] 3,5-dinitrobenzoate Openeye Name: [2-(1,2,4-triazol-4-yliminomethyl)phenyl] 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid [2-(1,2,4-triazol-4-yliminomethyl)phenyl] ester IUPAC Name: [2-(1,2,4-triazol-4-yliminomethyl)phenyl] 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid [2-(1,2,4-triazol-4-yliminomethyl)phenyl] ester Formula: C16H10N6O6 MolecularWeight: 382.2872

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C=NN2C=NN=C2)OC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)C=NN2C=NN=C2)OC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C16H10N6O6/c23-16(12-5-13(21(24)25)7-14(6-12)22(26)27)28-15-4-2-1-3-11(15)8-19-20-9-17-18-10-20/h1-10H