ethyl 4-[(1E,3Z)-1-azanyl-2-cyano-3-methylsulfanyl-4-nitro-buta-1,3-dienyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[(1E,3Z)-1-azanyl-2-cyano-3-methylsulfanyl-4-nitro-buta-1,3-dienyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[(1E,3Z)-1-amino-2-cyano-3-methylsulfanyl-4-nitro-buta-1,3-dienyl]piperazine-1-carboxylate CAS Name: 4-[(1E,3Z)-1-amino-2-cyano-3-(methylthio)-4-nitrobuta-1,3-dienyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(1E,3Z)-1-amino-2-cyano-3-methylsulfanyl-4-nitrobuta-1,3-dienyl]piperazine-1-carboxylate Traditional Name: 4-[(1E,3Z)-1-amino-2-cyano-3-(methylthio)-4-nitro-buta-1,3-dienyl]piperazine-1-carboxylic acid ethyl ester Formula: C13H19N5O4S MolecularWeight: 341.38606

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=C(C#N)C(=C[N+](=O)[O-])SC)N

Isomeric SMILES

CCOC(=O)N1CCN(CC1)/C(=C(\C#N)/C(=C/[N+](=O)[O-])/SC)/N

InChI

InChI=1S/C13H19N5O4S/c1-3-22-13(19)17-6-4-16(5-7-17)12(15)10(8-14)11(23-2)9-18(20)21/h9H,3-7,15H2,1-2H3/b11-9-,12-10+