butyl (E)-2-cyano-3-(4,5-dimethoxy-2-nitro-phenyl)prop-2-enoate

Systemtic Name: butyl (E)-2-cyano-3-(4,5-dimethoxy-2-nitro-phenyl)prop-2-enoate Openeye Name: butyl (E)-2-cyano-3-(4,5-dimethoxy-2-nitro-phenyl)prop-2-enoate CAS Name: (E)-2-cyano-3-(4,5-dimethoxy-2-nitrophenyl)-2-propenoic acid butyl ester IUPAC Name: butyl (E)-2-cyano-3-(4,5-dimethoxy-2-nitrophenyl)prop-2-enoate Traditional Name: (E)-2-cyano-3-(4,5-dimethoxy-2-nitro-phenyl)acrylic acid butyl ester Formula: C16H18N2O6 MolecularWeight: 334.32392

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N2O6/c1-4-5-6-24-16(19)12(10-17)7-11-8-14(22-2)15(23-3)9-13(11)18(20)21/h7-9H,4-6H2,1-3H3/b12-7+