(E)-3-[1-[(4-bromophenyl)methyl]-2-methyl-indol-3-yl]-2-(3-nitrophenyl)carbonyl-prop-2-enenitrile

Systemtic Name: (E)-3-[1-[(4-bromophenyl)methyl]-2-methyl-indol-3-yl]-2-(3-nitrophenyl)carbonyl-prop-2-enenitrile Openeye Name: (E)-3-[1-[(4-bromophenyl)methyl]-2-methyl-indol-3-yl]-2-(3-nitrobenzoyl)prop-2-enenitrile CAS Name: (E)-3-[1-[(4-bromophenyl)methyl]-2-methyl-3-indolyl]-2-[(3-nitrophenyl)-oxomethyl]-2-propenenitrile IUPAC Name: (E)-3-[1-[(4-bromophenyl)methyl]-2-methylindol-3-yl]-2-(3-nitrobenzoyl)prop-2-enenitrile Traditional Name: (E)-3-[1-(4-bromobenzyl)-2-methyl-indol-3-yl]-2-(3-nitrobenzoyl)acrylonitrile Formula: C26H18BrN3O3 MolecularWeight: 500.34342

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N1CC3=CC=C(C=C3)Br)C=C(C#N)C(=O)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C2=CC=CC=C2N1CC3=CC=C(C=C3)Br)/C=C(\C#N)/C(=O)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C26H18BrN3O3/c1-17-24(14-20(15-28)26(31)19-5-4-6-22(13-19)30(32)33)23-7-2-3-8-25(23)29(17)16-18-9-11-21(27)12-10-18/h2-14H,16H2,1H3/b20-14+