N1-[(3-chloranyl-5-methoxy-4-prop-2-enoxy-phenyl)methyl]-1,2,3,4-tetrazole-1,5-diamine

Systemtic Name: N1-[(3-chloranyl-5-methoxy-4-prop-2-enoxy-phenyl)methyl]-1,2,3,4-tetrazole-1,5-diamine Openeye Name: N1-[(4-allyloxy-3-chloro-5-methoxy-phenyl)methyl]tetrazole-1,5-diamine CAS Name: N1-[(3-chloro-5-methoxy-4-prop-2-enoxyphenyl)methyl]tetrazole-1,5-diamine IUPAC Name: 1-N-[(3-chloro-5-methoxy-4-prop-2-enoxyphenyl)methyl]tetrazole-1,5-diamine Traditional Name: (4-allyloxy-3-chloro-5-methoxy-benzyl)-(5-aminotetrazol-1-yl)amine Formula: C12H15ClN6O2 MolecularWeight: 310.7395

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)CNN2C(=NN=N2)N)Cl)OCC=C

Isomeric SMILES

COC1=C(C(=CC(=C1)CNN2C(=NN=N2)N)Cl)OCC=C

InChI

InChI=1S/C12H15ClN6O2/c1-3-4-21-11-9(13)5-8(6-10(11)20-2)7-15-19-12(14)16-17-18-19/h3,5-6,15H,1,4,7H2,2H3,(H2,14,16,18)