prop-2-enyl (E)-2-cyano-3-(3-nitro-4-propan-2-yl-phenyl)prop-2-enoate

Systemtic Name: prop-2-enyl (E)-2-cyano-3-(3-nitro-4-propan-2-yl-phenyl)prop-2-enoate Openeye Name: allyl (E)-2-cyano-3-(4-isopropyl-3-nitro-phenyl)prop-2-enoate CAS Name: (E)-2-cyano-3-(3-nitro-4-propan-2-ylphenyl)-2-propenoic acid prop-2-enyl ester IUPAC Name: prop-2-enyl (E)-2-cyano-3-(3-nitro-4-propan-2-ylphenyl)prop-2-enoate Traditional Name: (E)-2-cyano-3-(4-isopropyl-3-nitro-phenyl)acrylic acid allyl ester Formula: C16H16N2O4 MolecularWeight: 300.30924

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16N2O4/c1-4-7-22-16(19)13(10-17)8-12-5-6-14(11(2)3)15(9-12)18(20)21/h4-6,8-9,11H,1,7H2,2-3H3/b13-8+