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

Systemtic Name: (1-phenyl-1,2,3,4-tetrazol-5-yl)methyl 4-(dimethylamino)-3-nitro-benzoate Openeye Name: (1-phenyltetrazol-5-yl)methyl 4-(dimethylamino)-3-nitro-benzoate CAS Name: 4-(dimethylamino)-3-nitrobenzoic acid (1-phenyl-5-tetrazolyl)methyl ester IUPAC Name: (1-phenyltetrazol-5-yl)methyl 4-(dimethylamino)-3-nitrobenzoate Traditional Name: 4-(dimethylamino)-3-nitro-benzoic acid (1-phenyltetrazol-5-yl)methyl ester Formula: C17H16N6O4 MolecularWeight: 368.34674

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16N6O4/c1-21(2)14-9-8-12(10-15(14)23(25)26)17(24)27-11-16-18-19-20-22(16)13-6-4-3-5-7-13/h3-10H,11H2,1-2H3