(E)-2-cyano-N-(3-ethoxypropyl)-3-(3-nitro-4-propan-2-yl-phenyl)prop-2-enamide

Systemtic Name: (E)-2-cyano-N-(3-ethoxypropyl)-3-(3-nitro-4-propan-2-yl-phenyl)prop-2-enamide Openeye Name: (E)-2-cyano-N-(3-ethoxypropyl)-3-(4-isopropyl-3-nitro-phenyl)prop-2-enamide CAS Name: (E)-2-cyano-N-(3-ethoxypropyl)-3-(3-nitro-4-propan-2-ylphenyl)-2-propenamide IUPAC Name: (E)-2-cyano-N-(3-ethoxypropyl)-3-(3-nitro-4-propan-2-ylphenyl)prop-2-enamide Traditional Name: (E)-2-cyano-N-(3-ethoxypropyl)-3-(4-isopropyl-3-nitro-phenyl)acrylamide Formula: C18H23N3O4 MolecularWeight: 345.39292

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23N3O4/c1-4-25-9-5-8-20-18(22)15(12-19)10-14-6-7-16(13(2)3)17(11-14)21(23)24/h6-7,10-11,13H,4-5,8-9H2,1-3H3,(H,20,22)/b15-10+