[2-nitro-4-(1,2,4-triazol-4-yliminomethyl)phenyl] benzoate

Systemtic Name: [2-nitro-4-(1,2,4-triazol-4-yliminomethyl)phenyl] benzoate Openeye Name: [2-nitro-4-(1,2,4-triazol-4-yliminomethyl)phenyl] benzoate CAS Name: benzoic acid [2-nitro-4-(1,2,4-triazol-4-yliminomethyl)phenyl] ester IUPAC Name: [2-nitro-4-(1,2,4-triazol-4-yliminomethyl)phenyl] benzoate Traditional Name: benzoic acid [2-nitro-4-(1,2,4-triazol-4-yliminomethyl)phenyl] ester Formula: C16H11N5O4 MolecularWeight: 337.28964

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)C=NN3C=NN=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)C=NN3C=NN=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H11N5O4/c22-16(13-4-2-1-3-5-13)25-15-7-6-12(8-14(15)21(23)24)9-19-20-10-17-18-11-20/h1-11H