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

Systemtic Name: methyl (3E)-3-(aminocarbonylhydrazinylidene)-2-[cyano-(4-nitrophenyl)methyl]butanoate Openeye Name: methyl (3E)-3-(carbamoylhydrazono)-2-[cyano-(4-nitrophenyl)methyl]butanoate CAS Name: (3E)-3-(carbamoylhydrazinylidene)-2-[cyano-(4-nitrophenyl)methyl]butanoic acid methyl ester IUPAC Name: methyl (3E)-3-(carbamoylhydrazinylidene)-2-[cyano-(4-nitrophenyl)methyl]butanoate Traditional Name: (3E)-2-[cyano-(4-nitrophenyl)methyl]-3-semicarbazono-butyric acid methyl ester Formula: C14H15N5O5 MolecularWeight: 333.2994

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15N5O5/c1-8(17-18-14(16)21)12(13(20)24-2)11(7-15)9-3-5-10(6-4-9)19(22)23/h3-6,11-12H,1-2H3,(H3,16,18,21)/b17-8+