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

Systemtic Name: butyl (E)-2-cyano-3-(3-nitro-4-propan-2-yl-phenyl)prop-2-enoate Openeye Name: butyl (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 butyl ester IUPAC Name: butyl (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 butyl ester Formula: C17H20N2O4 MolecularWeight: 316.3517

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N2O4/c1-4-5-8-23-17(20)14(11-18)9-13-6-7-15(12(2)3)16(10-13)19(21)22/h6-7,9-10,12H,4-5,8H2,1-3H3/b14-9+