2-(4-bromophenyl)-3-[3-methoxy-4-(5-nitropyridin-2-yl)oxy-phenyl]prop-2-enenitrile

Systemtic Name: 2-(4-bromophenyl)-3-[3-methoxy-4-(5-nitropyridin-2-yl)oxy-phenyl]prop-2-enenitrile Openeye Name: 2-(4-bromophenyl)-3-[3-methoxy-4-[(5-nitro-2-pyridyl)oxy]phenyl]prop-2-enenitrile CAS Name: 2-(4-bromophenyl)-3-[3-methoxy-4-[(5-nitro-2-pyridinyl)oxy]phenyl]-2-propenenitrile IUPAC Name: 2-(4-bromophenyl)-3-[3-methoxy-4-(5-nitropyridin-2-yl)oxyphenyl]prop-2-enenitrile Traditional Name: 2-(4-bromophenyl)-3-[3-methoxy-4-[(5-nitro-2-pyridyl)oxy]phenyl]acrylonitrile Formula: C21H14BrN3O4 MolecularWeight: 452.25756

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=C(C#N)C2=CC=C(C=C2)Br)OC3=NC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=CC(=C1)C=C(C#N)C2=CC=C(C=C2)Br)OC3=NC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H14BrN3O4/c1-28-20-11-14(10-16(12-23)15-3-5-17(22)6-4-15)2-8-19(20)29-21-9-7-18(13-24-21)25(26)27/h2-11,13H,1H3