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

Systemtic Name: (E)-N-butyl-2-cyano-3-(3-nitro-4-propan-2-yl-phenyl)prop-2-enamide Openeye Name: (E)-N-butyl-2-cyano-3-(4-isopropyl-3-nitro-phenyl)prop-2-enamide CAS Name: (E)-N-butyl-2-cyano-3-(3-nitro-4-propan-2-ylphenyl)-2-propenamide IUPAC Name: (E)-N-butyl-2-cyano-3-(3-nitro-4-propan-2-ylphenyl)prop-2-enamide Traditional Name: (E)-N-butyl-2-cyano-3-(4-isopropyl-3-nitro-phenyl)acrylamide Formula: C17H21N3O3 MolecularWeight: 315.36694

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21N3O3/c1-4-5-8-19-17(21)14(11-18)9-13-6-7-15(12(2)3)16(10-13)20(22)23/h6-7,9-10,12H,4-5,8H2,1-3H3,(H,19,21)/b14-9+