2-[3,4-bis(4-chlorophenyl)-5-cyano-6-oxidanylidene-pyridazin-1-yl]ethyl 2-azanylethanoate hydrobromide

Systemtic Name: 2-[3,4-bis(4-chlorophenyl)-5-cyano-6-oxidanylidene-pyridazin-1-yl]ethyl 2-azanylethanoate hydrobromide Openeye Name: 2-[3,4-bis(4-chlorophenyl)-5-cyano-6-oxo-pyridazin-1-yl]ethyl 2-aminoacetate hydrobromide CAS Name: 2-aminoacetic acid 2-[3,4-bis(4-chlorophenyl)-5-cyano-6-oxo-1-pyridazinyl]ethyl ester hydrobromide IUPAC Name: 2-[3,4-bis(4-chlorophenyl)-5-cyano-6-oxopyridazin-1-yl]ethyl 2-aminoacetate hydrobromide Traditional Name: 2-aminoacetic acid 2-[3,4-bis(4-chlorophenyl)-5-cyano-6-keto-pyridazin-1-yl]ethyl ester hydrobromide Formula: C21H17BrCl2N4O3 MolecularWeight: 524.19468

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=C(C(=O)N(N=C2C3=CC=C(C=C3)Cl)CCOC(=O)CN)C#N)Cl.Br

Isomeric SMILES

C1=CC(=CC=C1C2=C(C(=O)N(N=C2C3=CC=C(C=C3)Cl)CCOC(=O)CN)C#N)Cl.Br

InChI

InChI=1S/C21H16Cl2N4O3.BrH/c22-15-5-1-13(2-6-15)19-17(11-24)21(29)27(9-10-30-18(28)12-25)26-20(19)14-3-7-16(23)8-4-14;/h1-8H,9-10,12,25H2;1H