ethyl 2-cyano-3-methylsulfanyl-3-[2-(4-nitrophenyl)carbonylhydrazinyl]prop-2-enoate

Systemtic Name: ethyl 2-cyano-3-methylsulfanyl-3-[2-(4-nitrophenyl)carbonylhydrazinyl]prop-2-enoate Openeye Name: ethyl 2-cyano-3-methylsulfanyl-3-[2-(4-nitrobenzoyl)hydrazino]prop-2-enoate CAS Name: 2-cyano-3-(methylthio)-3-[[(4-nitrophenyl)-oxomethyl]hydrazo]-2-propenoic acid ethyl ester IUPAC Name: ethyl 2-cyano-3-methylsulfanyl-3-[2-(4-nitrobenzoyl)hydrazinyl]prop-2-enoate Traditional Name: 2-cyano-3-(methylthio)-3-[N'-(4-nitrobenzoyl)hydrazino]acrylic acid ethyl ester Formula: C14H14N4O5S MolecularWeight: 350.34976

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14N4O5S/c1-3-23-14(20)11(8-15)13(24-2)17-16-12(19)9-4-6-10(7-5-9)18(21)22/h4-7,17H,3H2,1-2H3,(H,16,19)