ethyl (3E)-2-[cyano-(4-nitrophenyl)methyl]-3-(phenylcarbamoylhydrazinylidene)butanoate

Systemtic Name: ethyl (3E)-2-[cyano-(4-nitrophenyl)methyl]-3-(phenylcarbamoylhydrazinylidene)butanoate Openeye Name: ethyl (3E)-2-[cyano-(4-nitrophenyl)methyl]-3-(phenylcarbamoylhydrazono)butanoate CAS Name: (3E)-3-[[anilino(oxo)methyl]hydrazinylidene]-2-[cyano-(4-nitrophenyl)methyl]butanoic acid ethyl ester IUPAC Name: ethyl (3E)-2-[cyano-(4-nitrophenyl)methyl]-3-(phenylcarbamoylhydrazinylidene)butanoate Traditional Name: (3E)-2-[cyano-(4-nitrophenyl)methyl]-3-(phenylcarbamoylhydrazono)butyric acid ethyl ester Formula: C21H21N5O5 MolecularWeight: 423.42194

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(C#N)C1=CC=C(C=C1)[N+](=O)[O-])C(=NNC(=O)NC2=CC=CC=C2)C

Isomeric SMILES

CCOC(=O)C(C(C#N)C1=CC=C(C=C1)[N+](=O)[O-])/C(=N/NC(=O)NC2=CC=CC=C2)/C

InChI

InChI=1S/C21H21N5O5/c1-3-31-20(27)19(18(13-22)15-9-11-17(12-10-15)26(29)30)14(2)24-25-21(28)23-16-7-5-4-6-8-16/h4-12,18-19H,3H2,1-2H3,(H2,23,25,28)/b24-14+