(2E)-3-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-2-[(4-methoxyphenyl)hydrazinylidene]-3-oxidanylidene-propanenitrile

Systemtic Name: (2E)-3-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-2-[(4-methoxyphenyl)hydrazinylidene]-3-oxidanylidene-propanenitrile Openeye Name: (1E)-2-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-N-(4-methoxyanilino)-2-oxo-acetimidoyl cyanide CAS Name: (2E)-3-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-2-[(4-methoxyphenyl)hydrazinylidene]-3-oxopropanenitrile IUPAC Name: (1E)-2-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-N-(4-methoxyanilino)-2-oxoethanimidoyl cyanide Traditional Name: (2E)-3-keto-3-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)-2-[(4-methoxyphenyl)hydrazono]propionitrile Formula: C21H19N5O3 MolecularWeight: 389.40726

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C(=O)C(=NNC3=CC=C(C=C3)OC)C#N

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C(=O)/C(=N/NC3=CC=C(C=C3)OC)/C#N

InChI

InChI=1S/C21H19N5O3/c1-14-19(21(28)26(25(14)2)16-7-5-4-6-8-16)20(27)18(13-22)24-23-15-9-11-17(29-3)12-10-15/h4-12,23H,1-3H3/b24-18+