methyl (Z)-2-cyano-3-methylsulfanyl-3-[(4-nitrophenyl)carbonylamino]prop-2-enoate

Systemtic Name: methyl (Z)-2-cyano-3-methylsulfanyl-3-[(4-nitrophenyl)carbonylamino]prop-2-enoate Openeye Name: methyl (Z)-2-cyano-3-methylsulfanyl-3-[(4-nitrobenzoyl)amino]prop-2-enoate CAS Name: (Z)-2-cyano-3-(methylthio)-3-[[(4-nitrophenyl)-oxomethyl]amino]-2-propenoic acid methyl ester IUPAC Name: methyl (Z)-2-cyano-3-methylsulfanyl-3-[(4-nitrobenzoyl)amino]prop-2-enoate Traditional Name: (Z)-2-cyano-3-(methylthio)-3-[(4-nitrobenzoyl)amino]acrylic acid methyl ester Formula: C13H11N3O5S MolecularWeight: 321.30854

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(=C(NC(=O)C1=CC=C(C=C1)[N+](=O)[O-])SC)C#N

Isomeric SMILES

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

InChI

InChI=1S/C13H11N3O5S/c1-21-13(18)10(7-14)12(22-2)15-11(17)8-3-5-9(6-4-8)16(19)20/h3-6H,1-2H3,(H,15,17)/b12-10-