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

Systemtic Name: (E)-2-(3-methylphenyl)carbonyl-3-(3-nitro-4-propan-2-yl-phenyl)prop-2-enenitrile Openeye Name: (E)-3-(4-isopropyl-3-nitro-phenyl)-2-(3-methylbenzoyl)prop-2-enenitrile CAS Name: (E)-2-[(3-methylphenyl)-oxomethyl]-3-(3-nitro-4-propan-2-ylphenyl)-2-propenenitrile IUPAC Name: (E)-2-(3-methylbenzoyl)-3-(3-nitro-4-propan-2-ylphenyl)prop-2-enenitrile Traditional Name: (E)-3-(4-isopropyl-3-nitro-phenyl)-2-m-toluoyl-acrylonitrile Formula: C20H18N2O3 MolecularWeight: 334.36852

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18N2O3/c1-13(2)18-8-7-15(11-19(18)22(24)25)10-17(12-21)20(23)16-6-4-5-14(3)9-16/h4-11,13H,1-3H3/b17-10+