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

Systemtic Name: (1-phenyl-1,2,3,4-tetrazol-5-yl)methyl 4-ethoxy-5-methoxy-2-nitro-benzoate Openeye Name: (1-phenyltetrazol-5-yl)methyl 4-ethoxy-5-methoxy-2-nitro-benzoate CAS Name: 4-ethoxy-5-methoxy-2-nitrobenzoic acid (1-phenyl-5-tetrazolyl)methyl ester IUPAC Name: (1-phenyltetrazol-5-yl)methyl 4-ethoxy-5-methoxy-2-nitrobenzoate Traditional Name: 4-ethoxy-5-methoxy-2-nitro-benzoic acid (1-phenyltetrazol-5-yl)methyl ester Formula: C18H17N5O6 MolecularWeight: 399.35748

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)[N+](=O)[O-])C(=O)OCC2=NN=NN2C3=CC=CC=C3)OC

Isomeric SMILES

CCOC1=C(C=C(C(=C1)[N+](=O)[O-])C(=O)OCC2=NN=NN2C3=CC=CC=C3)OC

InChI

InChI=1S/C18H17N5O6/c1-3-28-16-10-14(23(25)26)13(9-15(16)27-2)18(24)29-11-17-19-20-21-22(17)12-7-5-4-6-8-12/h4-10H,3,11H2,1-2H3