methyl 2-[2-(2-azanylidene-3-prop-2-enyl-benzimidazol-1-yl)ethanoyl]benzoate hydrobromide

Systemtic Name: methyl 2-[2-(2-azanylidene-3-prop-2-enyl-benzimidazol-1-yl)ethanoyl]benzoate hydrobromide Openeye Name: methyl 2-[2-(3-allyl-2-imino-benzimidazol-1-yl)acetyl]benzoate hydrobromide CAS Name: 2-[2-(2-imino-3-prop-2-enyl-1-benzimidazolyl)-1-oxoethyl]benzoic acid methyl ester hydrobromide IUPAC Name: methyl 2-[2-(2-imino-3-prop-2-enylbenzimidazol-1-yl)acetyl]benzoate hydrobromide Traditional Name: 2-[2-(3-allyl-2-imino-benzimidazol-1-yl)acetyl]benzoic acid methyl ester hydrobromide Formula: C20H20BrN3O3 MolecularWeight: 430.2951

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1C(=O)CN2C3=CC=CC=C3N(C2=N)CC=C.Br

Isomeric SMILES

COC(=O)C1=CC=CC=C1C(=O)CN2C3=CC=CC=C3N(C2=N)CC=C.Br

InChI

InChI=1S/C20H19N3O3.BrH/c1-3-12-22-16-10-6-7-11-17(16)23(20(22)21)13-18(24)14-8-4-5-9-15(14)19(25)26-2;/h3-11,21H,1,12-13H2,2H3;1H