(E)-2-(1H-indol-3-ylcarbonyl)-3-(3-nitro-4-propan-2-yl-phenyl)prop-2-enenitrile

Systemtic Name: (E)-2-(1H-indol-3-ylcarbonyl)-3-(3-nitro-4-propan-2-yl-phenyl)prop-2-enenitrile Openeye Name: (E)-2-(1H-indole-3-carbonyl)-3-(4-isopropyl-3-nitro-phenyl)prop-2-enenitrile CAS Name: (E)-2-[1H-indol-3-yl(oxo)methyl]-3-(3-nitro-4-propan-2-ylphenyl)-2-propenenitrile IUPAC Name: (E)-2-(1H-indole-3-carbonyl)-3-(3-nitro-4-propan-2-ylphenyl)prop-2-enenitrile Traditional Name: (E)-2-(1H-indole-3-carbonyl)-3-(4-isopropyl-3-nitro-phenyl)acrylonitrile Formula: C21H17N3O3 MolecularWeight: 359.37798

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C=C(C=C1)C=C(C#N)C(=O)C2=CNC3=CC=CC=C32)[N+](=O)[O-]

Isomeric SMILES

CC(C)C1=C(C=C(C=C1)/C=C(\C#N)/C(=O)C2=CNC3=CC=CC=C32)[N+](=O)[O-]

InChI

InChI=1S/C21H17N3O3/c1-13(2)16-8-7-14(10-20(16)24(26)27)9-15(11-22)21(25)18-12-23-19-6-4-3-5-17(18)19/h3-10,12-13,23H,1-2H3/b15-9+