methyl (E)-2-cyano-3-[methyl-(4-nitrophenyl)amino]prop-2-enoate

Systemtic Name: methyl (E)-2-cyano-3-[methyl-(4-nitrophenyl)amino]prop-2-enoate Openeye Name: methyl (E)-2-cyano-3-(N-methyl-4-nitro-anilino)prop-2-enoate CAS Name: (E)-2-cyano-3-(N-methyl-4-nitroanilino)-2-propenoic acid methyl ester IUPAC Name: methyl (E)-2-cyano-3-(N-methyl-4-nitroanilino)prop-2-enoate Traditional Name: (E)-2-cyano-3-(N-methyl-4-nitro-anilino)acrylic acid methyl ester Formula: C12H11N3O4 MolecularWeight: 261.23344

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Descriptors Computed from Structure

Canonical SMILES:

CN(C=C(C#N)C(=O)OC)C1=CC=C(C=C1)[N+](=O)[O-]

Isomeric SMILES

CN(/C=C(\C#N)/C(=O)OC)C1=CC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C12H11N3O4/c1-14(8-9(7-13)12(16)19-2)10-3-5-11(6-4-10)15(17)18/h3-6,8H,1-2H3/b9-8+