ethyl (E)-2-cyano-3-methylsulfanyl-3-[(3-nitrophenyl)amino]prop-2-enoate

Systemtic Name: ethyl (E)-2-cyano-3-methylsulfanyl-3-[(3-nitrophenyl)amino]prop-2-enoate Openeye Name: ethyl (E)-2-cyano-3-methylsulfanyl-3-(3-nitroanilino)prop-2-enoate CAS Name: (E)-2-cyano-3-(methylthio)-3-(3-nitroanilino)-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-2-cyano-3-methylsulfanyl-3-(3-nitroanilino)prop-2-enoate Traditional Name: (E)-2-cyano-3-(methylthio)-3-(3-nitroanilino)acrylic acid ethyl ester Formula: C13H13N3O4S MolecularWeight: 307.32502

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=C(NC1=CC(=CC=C1)[N+](=O)[O-])SC)C#N

Isomeric SMILES

CCOC(=O)/C(=C(\NC1=CC(=CC=C1)[N+](=O)[O-])/SC)/C#N

InChI

InChI=1S/C13H13N3O4S/c1-3-20-13(17)11(8-14)12(21-2)15-9-5-4-6-10(7-9)16(18)19/h4-7,15H,3H2,1-2H3/b12-11+