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

Systemtic Name: methyl (3E)-2-[cyano-(4-nitrophenyl)methyl]-3-(phenylcarbamoylhydrazinylidene)butanoate Openeye Name: methyl (3E)-2-[cyano-(4-nitrophenyl)methyl]-3-(phenylcarbamoylhydrazono)butanoate CAS Name: (3E)-3-[[anilino(oxo)methyl]hydrazinylidene]-2-[cyano-(4-nitrophenyl)methyl]butanoic acid methyl ester IUPAC Name: methyl (3E)-2-[cyano-(4-nitrophenyl)methyl]-3-(phenylcarbamoylhydrazinylidene)butanoate Traditional Name: (3E)-2-[cyano-(4-nitrophenyl)methyl]-3-(phenylcarbamoylhydrazono)butyric acid methyl ester Formula: C20H19N5O5 MolecularWeight: 409.39536

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=O)NC1=CC=CC=C1)C(C(C#N)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

C/C(=N\NC(=O)NC1=CC=CC=C1)/C(C(C#N)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C20H19N5O5/c1-13(23-24-20(27)22-15-6-4-3-5-7-15)18(19(26)30-2)17(12-21)14-8-10-16(11-9-14)25(28)29/h3-11,17-18H,1-2H3,(H2,22,24,27)/b23-13+