(E)-3-(4-bromanyl-3-nitro-phenyl)-2-(3-methylphenyl)carbonyl-prop-2-enenitrile

Systemtic Name: (E)-3-(4-bromanyl-3-nitro-phenyl)-2-(3-methylphenyl)carbonyl-prop-2-enenitrile Openeye Name: (E)-3-(4-bromo-3-nitro-phenyl)-2-(3-methylbenzoyl)prop-2-enenitrile CAS Name: (E)-3-(4-bromo-3-nitrophenyl)-2-[(3-methylphenyl)-oxomethyl]-2-propenenitrile IUPAC Name: (E)-3-(4-bromo-3-nitrophenyl)-2-(3-methylbenzoyl)prop-2-enenitrile Traditional Name: (E)-3-(4-bromo-3-nitro-phenyl)-2-m-toluoyl-acrylonitrile Formula: C17H11BrN2O3 MolecularWeight: 371.18484

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)C(=CC2=CC(=C(C=C2)Br)[N+](=O)[O-])C#N

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)/C(=C/C2=CC(=C(C=C2)Br)[N+](=O)[O-])/C#N

InChI

InChI=1S/C17H11BrN2O3/c1-11-3-2-4-13(7-11)17(21)14(10-19)8-12-5-6-15(18)16(9-12)20(22)23/h2-9H,1H3/b14-8+