3-azanyl-5-[2-[2,3-bis(bromanyl)-5-ethoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene]-1-cyano-ethylidene]-2-phenyl-1H-pyrazole-4-carbonitrile

Systemtic Name: 3-azanyl-5-[2-[2,3-bis(bromanyl)-5-ethoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene]-1-cyano-ethylidene]-2-phenyl-1H-pyrazole-4-carbonitrile Openeye Name: 3-amino-5-[1-cyano-2-(2,3-dibromo-5-ethoxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)ethylidene]-2-phenyl-1H-pyrazole-4-carbonitrile CAS Name: 3-amino-5-[1-cyano-2-(2,3-dibromo-5-ethoxy-4-oxo-1-cyclohexa-2,5-dienylidene)ethylidene]-2-phenyl-1H-pyrazole-4-carbonitrile IUPAC Name: 3-amino-5-[1-cyano-2-(2,3-dibromo-5-ethoxy-4-oxocyclohexa-2,5-dien-1-ylidene)ethylidene]-2-phenyl-1H-pyrazole-4-carbonitrile Traditional Name: 5-amino-3-[1-cyano-2-(2,3-dibromo-5-ethoxy-4-keto-cyclohexa-2,5-dien-1-ylidene)ethylidene]-1-phenyl-3-pyrazoline-4-carbonitrile Formula: C21H15Br2N5O2 MolecularWeight: 529.1841

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C2C(=C(N(N2)C3=CC=CC=C3)N)C#N)C#N)C(=C(C1=O)Br)Br

Isomeric SMILES

CCOC1=CC(=CC(=C2C(=C(N(N2)C3=CC=CC=C3)N)C#N)C#N)C(=C(C1=O)Br)Br

InChI

InChI=1S/C21H15Br2N5O2/c1-2-30-16-9-12(17(22)18(23)20(16)29)8-13(10-24)19-15(11-25)21(26)28(27-19)14-6-4-3-5-7-14/h3-9,27H,2,26H2,1H3