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

Systemtic Name: (E)-2-(3-methylphenyl)-3-[4-(5-nitropyridin-2-yl)oxyphenyl]prop-2-enenitrile Openeye Name: (E)-2-(m-tolyl)-3-[4-[(5-nitro-2-pyridyl)oxy]phenyl]prop-2-enenitrile CAS Name: (E)-2-(3-methylphenyl)-3-[4-[(5-nitro-2-pyridinyl)oxy]phenyl]-2-propenenitrile IUPAC Name: (E)-2-(3-methylphenyl)-3-[4-(5-nitropyridin-2-yl)oxyphenyl]prop-2-enenitrile Traditional Name: (E)-2-(m-tolyl)-3-[4-[(5-nitro-2-pyridyl)oxy]phenyl]acrylonitrile Formula: C21H15N3O3 MolecularWeight: 357.3621

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H15N3O3/c1-15-3-2-4-17(11-15)18(13-22)12-16-5-8-20(9-6-16)27-21-10-7-19(14-23-21)24(25)26/h2-12,14H,1H3/b18-12-