butyl (E)-2-cyano-3-(4-methyl-3-nitro-phenyl)prop-2-enoate

Systemtic Name: butyl (E)-2-cyano-3-(4-methyl-3-nitro-phenyl)prop-2-enoate Openeye Name: butyl (E)-2-cyano-3-(4-methyl-3-nitro-phenyl)prop-2-enoate CAS Name: (E)-2-cyano-3-(4-methyl-3-nitrophenyl)-2-propenoic acid butyl ester IUPAC Name: butyl (E)-2-cyano-3-(4-methyl-3-nitrophenyl)prop-2-enoate Traditional Name: (E)-2-cyano-3-(4-methyl-3-nitro-phenyl)acrylic acid butyl ester Formula: C15H16N2O4 MolecularWeight: 288.29854

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C(=CC1=CC(=C(C=C1)C)[N+](=O)[O-])C#N

Isomeric SMILES

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

InChI

InChI=1S/C15H16N2O4/c1-3-4-7-21-15(18)13(10-16)8-12-6-5-11(2)14(9-12)17(19)20/h5-6,8-9H,3-4,7H2,1-2H3/b13-8+