O1-methyl O3-[(1-phenyl-1,2,3,4-tetrazol-5-yl)methyl] 5-nitrobenzene-1,3-dicarboxylate

Systemtic Name: O1-methyl O3-[(1-phenyl-1,2,3,4-tetrazol-5-yl)methyl] 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O1-methyl O3-[(1-phenyltetrazol-5-yl)methyl] 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O1-methyl ester O3-[(1-phenyl-5-tetrazolyl)methyl] ester IUPAC Name: 1-O-methyl 3-O-[(1-phenyltetrazol-5-yl)methyl] 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O1-methyl ester O3-[(1-phenyltetrazol-5-yl)methyl] ester Formula: C17H13N5O6 MolecularWeight: 383.31502

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OCC2=NN=NN2C3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OCC2=NN=NN2C3=CC=CC=C3

InChI

InChI=1S/C17H13N5O6/c1-27-16(23)11-7-12(9-14(8-11)22(25)26)17(24)28-10-15-18-19-20-21(15)13-5-3-2-4-6-13/h2-9H,10H2,1H3