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

Systemtic Name: (E)-2-cyano-N-(3-methoxypropyl)-3-(3-nitro-4-propan-2-yl-phenyl)prop-2-enamide Openeye Name: (E)-2-cyano-3-(4-isopropyl-3-nitro-phenyl)-N-(3-methoxypropyl)prop-2-enamide CAS Name: (E)-2-cyano-N-(3-methoxypropyl)-3-(3-nitro-4-propan-2-ylphenyl)-2-propenamide IUPAC Name: (E)-2-cyano-N-(3-methoxypropyl)-3-(3-nitro-4-propan-2-ylphenyl)prop-2-enamide Traditional Name: (E)-2-cyano-3-(4-isopropyl-3-nitro-phenyl)-N-(3-methoxypropyl)acrylamide Formula: C17H21N3O4 MolecularWeight: 331.36634

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21N3O4/c1-12(2)15-6-5-13(10-16(15)20(22)23)9-14(11-18)17(21)19-7-4-8-24-3/h5-6,9-10,12H,4,7-8H2,1-3H3,(H,19,21)/b14-9+