[4-(1,2,3,4-tetrazol-1-yl)phenyl] 3-bromanyl-5-methoxy-4-propoxy-benzoate

Systemtic Name: [4-(1,2,3,4-tetrazol-1-yl)phenyl] 3-bromanyl-5-methoxy-4-propoxy-benzoate Openeye Name: [4-(tetrazol-1-yl)phenyl] 3-bromo-5-methoxy-4-propoxy-benzoate CAS Name: 3-bromo-5-methoxy-4-propoxybenzoic acid [4-(1-tetrazolyl)phenyl] ester IUPAC Name: [4-(tetrazol-1-yl)phenyl] 3-bromo-5-methoxy-4-propoxybenzoate Traditional Name: 3-bromo-5-methoxy-4-propoxy-benzoic acid [4-(tetrazol-1-yl)phenyl] ester Formula: C18H17BrN4O4 MolecularWeight: 433.25598

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1Br)C(=O)OC2=CC=C(C=C2)N3C=NN=N3)OC

Isomeric SMILES

CCCOC1=C(C=C(C=C1Br)C(=O)OC2=CC=C(C=C2)N3C=NN=N3)OC

InChI

InChI=1S/C18H17BrN4O4/c1-3-8-26-17-15(19)9-12(10-16(17)25-2)18(24)27-14-6-4-13(5-7-14)23-11-20-21-22-23/h4-7,9-11H,3,8H2,1-2H3