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

Systemtic Name: ethyl (3E)-3-(aminocarbonylhydrazinylidene)-2-[cyano-(4-nitrophenyl)methyl]butanoate Openeye Name: ethyl (3E)-3-(carbamoylhydrazono)-2-[cyano-(4-nitrophenyl)methyl]butanoate CAS Name: (3E)-3-(carbamoylhydrazinylidene)-2-[cyano-(4-nitrophenyl)methyl]butanoic acid ethyl ester IUPAC Name: ethyl (3E)-3-(carbamoylhydrazinylidene)-2-[cyano-(4-nitrophenyl)methyl]butanoate Traditional Name: (3E)-2-[cyano-(4-nitrophenyl)methyl]-3-semicarbazono-butyric acid ethyl ester Formula: C15H17N5O5 MolecularWeight: 347.32598

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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)N)C

Isomeric SMILES

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

InChI

InChI=1S/C15H17N5O5/c1-3-25-14(21)13(9(2)18-19-15(17)22)12(8-16)10-4-6-11(7-5-10)20(23)24/h4-7,12-13H,3H2,1-2H3,(H3,17,19,22)/b18-9+