ethyl (E)-2-cyano-3-[[2-[(3-nitro-4-oxidanyl-phenyl)sulfonylamino]phenyl]amino]prop-2-enoate

Systemtic Name: ethyl (E)-2-cyano-3-[[2-[(3-nitro-4-oxidanyl-phenyl)sulfonylamino]phenyl]amino]prop-2-enoate Openeye Name: ethyl (E)-2-cyano-3-[2-[(4-hydroxy-3-nitro-phenyl)sulfonylamino]anilino]prop-2-enoate CAS Name: (E)-2-cyano-3-[2-[(4-hydroxy-3-nitrophenyl)sulfonylamino]anilino]-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-2-cyano-3-[2-[(4-hydroxy-3-nitrophenyl)sulfonylamino]anilino]prop-2-enoate Traditional Name: (E)-2-cyano-3-[2-[(4-hydroxy-3-nitro-phenyl)sulfonylamino]anilino]acrylic acid ethyl ester Formula: C18H16N4O7S MolecularWeight: 432.40724

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CNC1=CC=CC=C1NS(=O)(=O)C2=CC(=C(C=C2)O)[N+](=O)[O-])C#N

Isomeric SMILES

CCOC(=O)/C(=C/NC1=CC=CC=C1NS(=O)(=O)C2=CC(=C(C=C2)O)[N+](=O)[O-])/C#N

InChI

InChI=1S/C18H16N4O7S/c1-2-29-18(24)12(10-19)11-20-14-5-3-4-6-15(14)21-30(27,28)13-7-8-17(23)16(9-13)22(25)26/h3-9,11,20-21,23H,2H2,1H3/b12-11+