(1-phenyl-1,2,3,4-tetrazol-5-yl)methyl 3-chloranyl-5-ethoxy-4-propoxy-benzoate

Systemtic Name: (1-phenyl-1,2,3,4-tetrazol-5-yl)methyl 3-chloranyl-5-ethoxy-4-propoxy-benzoate Openeye Name: (1-phenyltetrazol-5-yl)methyl 3-chloro-5-ethoxy-4-propoxy-benzoate CAS Name: 3-chloro-5-ethoxy-4-propoxybenzoic acid (1-phenyl-5-tetrazolyl)methyl ester IUPAC Name: (1-phenyltetrazol-5-yl)methyl 3-chloro-5-ethoxy-4-propoxybenzoate Traditional Name: 3-chloro-5-ethoxy-4-propoxy-benzoic acid (1-phenyltetrazol-5-yl)methyl ester Formula: C20H21ClN4O4 MolecularWeight: 416.85814

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1Cl)C(=O)OCC2=NN=NN2C3=CC=CC=C3)OCC

Isomeric SMILES

CCCOC1=C(C=C(C=C1Cl)C(=O)OCC2=NN=NN2C3=CC=CC=C3)OCC

InChI

InChI=1S/C20H21ClN4O4/c1-3-10-28-19-16(21)11-14(12-17(19)27-4-2)20(26)29-13-18-22-23-24-25(18)15-8-6-5-7-9-15/h5-9,11-12H,3-4,10,13H2,1-2H3