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

Systemtic Name: O1-methyl O3-[(1-propyl-1,2,3,4-tetrazol-5-yl)methyl] 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O1-methyl O3-[(1-propyltetrazol-5-yl)methyl] 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O1-methyl ester O3-[(1-propyl-5-tetrazolyl)methyl] ester IUPAC Name: 1-O-methyl 3-O-[(1-propyltetrazol-5-yl)methyl] 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O1-methyl ester O3-[(1-propyltetrazol-5-yl)methyl] ester Formula: C14H15N5O6 MolecularWeight: 349.2988

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NN=N1)COC(=O)C2=CC(=CC(=C2)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CCCN1C(=NN=N1)COC(=O)C2=CC(=CC(=C2)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C14H15N5O6/c1-3-4-18-12(15-16-17-18)8-25-14(21)10-5-9(13(20)24-2)6-11(7-10)19(22)23/h5-7H,3-4,8H2,1-2H3