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

Systemtic Name: (1-phenyl-1,2,3,4-tetrazol-5-yl)methyl 2-(methylamino)-5-nitro-benzoate Openeye Name: (1-phenyltetrazol-5-yl)methyl 2-(methylamino)-5-nitro-benzoate CAS Name: 2-(methylamino)-5-nitrobenzoic acid (1-phenyl-5-tetrazolyl)methyl ester IUPAC Name: (1-phenyltetrazol-5-yl)methyl 2-(methylamino)-5-nitrobenzoate Traditional Name: 2-(methylamino)-5-nitro-benzoic acid (1-phenyltetrazol-5-yl)methyl ester Formula: C16H14N6O4 MolecularWeight: 354.32016

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)OCC2=NN=NN2C3=CC=CC=C3

Isomeric SMILES

CNC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)OCC2=NN=NN2C3=CC=CC=C3

InChI

InChI=1S/C16H14N6O4/c1-17-14-8-7-12(22(24)25)9-13(14)16(23)26-10-15-18-19-20-21(15)11-5-3-2-4-6-11/h2-9,17H,10H2,1H3