[4-(1,2,3,4-tetrazol-1-yl)phenyl] 3-nitrobenzoate

Systemtic Name: [4-(1,2,3,4-tetrazol-1-yl)phenyl] 3-nitrobenzoate Openeye Name: [4-(tetrazol-1-yl)phenyl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [4-(1-tetrazolyl)phenyl] ester IUPAC Name: [4-(tetrazol-1-yl)phenyl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [4-(tetrazol-1-yl)phenyl] ester Formula: C14H9N5O4 MolecularWeight: 311.25236

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OC2=CC=C(C=C2)N3C=NN=N3

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OC2=CC=C(C=C2)N3C=NN=N3

InChI

InChI=1S/C14H9N5O4/c20-14(10-2-1-3-12(8-10)19(21)22)23-13-6-4-11(5-7-13)18-9-15-16-17-18/h1-9H