prop-2-enyl (E)-2-cyano-3-[4-(methylamino)-3-nitro-phenyl]prop-2-enoate

Systemtic Name: prop-2-enyl (E)-2-cyano-3-[4-(methylamino)-3-nitro-phenyl]prop-2-enoate Openeye Name: allyl (E)-2-cyano-3-[4-(methylamino)-3-nitro-phenyl]prop-2-enoate CAS Name: (E)-2-cyano-3-[4-(methylamino)-3-nitrophenyl]-2-propenoic acid prop-2-enyl ester IUPAC Name: prop-2-enyl (E)-2-cyano-3-[4-(methylamino)-3-nitrophenyl]prop-2-enoate Traditional Name: (E)-2-cyano-3-[4-(methylamino)-3-nitro-phenyl]acrylic acid allyl ester Formula: C14H13N3O4 MolecularWeight: 287.27072

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C=C1)C=C(C#N)C(=O)OCC=C)[N+](=O)[O-]

Isomeric SMILES

CNC1=C(C=C(C=C1)/C=C(\C#N)/C(=O)OCC=C)[N+](=O)[O-]

InChI

InChI=1S/C14H13N3O4/c1-3-6-21-14(18)11(9-15)7-10-4-5-12(16-2)13(8-10)17(19)20/h3-5,7-8,16H,1,6H2,2H3/b11-7+