2-(1,3-benzodioxol-4-yl)-1-(3-bromanyl-4-cyano-2-oxidanyl-phenyl)-1-cyano-guanidine

Systemtic Name: 2-(1,3-benzodioxol-4-yl)-1-(3-bromanyl-4-cyano-2-oxidanyl-phenyl)-1-cyano-guanidine Openeye Name: 2-(1,3-benzodioxol-4-yl)-1-(3-bromo-4-cyano-2-hydroxy-phenyl)-1-cyano-guanidine CAS Name: 2-(1,3-benzodioxol-4-yl)-1-(3-bromo-4-cyano-2-hydroxyphenyl)-1-cyanoguanidine IUPAC Name: 2-(1,3-benzodioxol-4-yl)-1-(3-bromo-4-cyano-2-hydroxyphenyl)-1-cyanoguanidine Traditional Name: 2-(1,3-benzodioxol-4-yl)-1-(3-bromo-4-cyano-2-hydroxy-phenyl)-1-cyano-guanidine Formula: C16H10BrN5O3 MolecularWeight: 400.1863

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=CC=CC(=C2O1)N=C(N)N(C#N)C3=C(C(=C(C=C3)C#N)Br)O

Isomeric SMILES

C1OC2=CC=CC(=C2O1)N=C(N)N(C#N)C3=C(C(=C(C=C3)C#N)Br)O

InChI

InChI=1S/C16H10BrN5O3/c17-13-9(6-18)4-5-11(14(13)23)22(7-19)16(20)21-10-2-1-3-12-15(10)25-8-24-12/h1-5,23H,8H2,(H2,20,21)