[4-(1,2,3,4-tetrazol-1-yl)phenyl] 4-methoxy-3-nitro-benzoate

Systemtic Name: [4-(1,2,3,4-tetrazol-1-yl)phenyl] 4-methoxy-3-nitro-benzoate Openeye Name: [4-(tetrazol-1-yl)phenyl] 4-methoxy-3-nitro-benzoate CAS Name: 4-methoxy-3-nitrobenzoic acid [4-(1-tetrazolyl)phenyl] ester IUPAC Name: [4-(tetrazol-1-yl)phenyl] 4-methoxy-3-nitrobenzoate Traditional Name: 4-methoxy-3-nitro-benzoic acid [4-(tetrazol-1-yl)phenyl] ester Formula: C15H11N5O5 MolecularWeight: 341.27834

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)N3C=NN=N3)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)N3C=NN=N3)[N+](=O)[O-]

InChI

InChI=1S/C15H11N5O5/c1-24-14-7-2-10(8-13(14)20(22)23)15(21)25-12-5-3-11(4-6-12)19-9-16-17-18-19/h2-9H,1H3