methyl 3-(1-methyl-1,2,3,4-tetrazol-5-yl)-5-nitro-benzoate

Systemtic Name: methyl 3-(1-methyl-1,2,3,4-tetrazol-5-yl)-5-nitro-benzoate Openeye Name: methyl 3-(1-methyltetrazol-5-yl)-5-nitro-benzoate CAS Name: 3-(1-methyl-5-tetrazolyl)-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-(1-methyltetrazol-5-yl)-5-nitrobenzoate Traditional Name: 3-(1-methyltetrazol-5-yl)-5-nitro-benzoic acid methyl ester Formula: C10H9N5O4 MolecularWeight: 263.20956

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=N1)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CN1C(=NN=N1)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C10H9N5O4/c1-14-9(11-12-13-14)6-3-7(10(16)19-2)5-8(4-6)15(17)18/h3-5H,1-2H3