2-(4-bromophenyl)-3-[4-(5-nitropyridin-2-yl)oxyphenyl]prop-2-enenitrile

Systemtic Name: 2-(4-bromophenyl)-3-[4-(5-nitropyridin-2-yl)oxyphenyl]prop-2-enenitrile Openeye Name: 2-(4-bromophenyl)-3-[4-[(5-nitro-2-pyridyl)oxy]phenyl]prop-2-enenitrile CAS Name: 2-(4-bromophenyl)-3-[4-[(5-nitro-2-pyridinyl)oxy]phenyl]-2-propenenitrile IUPAC Name: 2-(4-bromophenyl)-3-[4-(5-nitropyridin-2-yl)oxyphenyl]prop-2-enenitrile Traditional Name: 2-(4-bromophenyl)-3-[4-[(5-nitro-2-pyridyl)oxy]phenyl]acrylonitrile Formula: C20H12BrN3O3 MolecularWeight: 422.23158

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C=C(C#N)C2=CC=C(C=C2)Br)OC3=NC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C=C(C#N)C2=CC=C(C=C2)Br)OC3=NC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H12BrN3O3/c21-17-5-3-15(4-6-17)16(12-22)11-14-1-8-19(9-2-14)27-20-10-7-18(13-23-20)24(25)26/h1-11,13H