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

Systemtic Name: (E)-3-[3-methoxy-4-(5-nitropyridin-2-yl)oxy-phenyl]-2-(4-methylphenyl)prop-2-enenitrile Openeye Name: (E)-3-[3-methoxy-4-[(5-nitro-2-pyridyl)oxy]phenyl]-2-(p-tolyl)prop-2-enenitrile CAS Name: (E)-3-[3-methoxy-4-[(5-nitro-2-pyridinyl)oxy]phenyl]-2-(4-methylphenyl)-2-propenenitrile IUPAC Name: (E)-3-[3-methoxy-4-(5-nitropyridin-2-yl)oxyphenyl]-2-(4-methylphenyl)prop-2-enenitrile Traditional Name: (E)-3-[3-methoxy-4-[(5-nitro-2-pyridyl)oxy]phenyl]-2-(p-tolyl)acrylonitrile Formula: C22H17N3O4 MolecularWeight: 387.38808

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=CC2=CC(=C(C=C2)OC3=NC=C(C=C3)[N+](=O)[O-])OC)C#N

Isomeric SMILES

CC1=CC=C(C=C1)/C(=C\C2=CC(=C(C=C2)OC3=NC=C(C=C3)[N+](=O)[O-])OC)/C#N

InChI

InChI=1S/C22H17N3O4/c1-15-3-6-17(7-4-15)18(13-23)11-16-5-9-20(21(12-16)28-2)29-22-10-8-19(14-24-22)25(26)27/h3-12,14H,1-2H3/b18-11-