(E)-3-(4-methoxy-2-methyl-5-propan-2-yl-phenyl)-2-(3-nitrophenyl)carbonyl-prop-2-enenitrile

Systemtic Name: (E)-3-(4-methoxy-2-methyl-5-propan-2-yl-phenyl)-2-(3-nitrophenyl)carbonyl-prop-2-enenitrile Openeye Name: (E)-3-(5-isopropyl-4-methoxy-2-methyl-phenyl)-2-(3-nitrobenzoyl)prop-2-enenitrile CAS Name: (E)-3-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-2-[(3-nitrophenyl)-oxomethyl]-2-propenenitrile IUPAC Name: (E)-3-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-2-(3-nitrobenzoyl)prop-2-enenitrile Traditional Name: (E)-3-(5-isopropyl-4-methoxy-2-methyl-phenyl)-2-(3-nitrobenzoyl)acrylonitrile Formula: C21H20N2O4 MolecularWeight: 364.3945

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C=C(C#N)C(=O)C2=CC(=CC=C2)[N+](=O)[O-])C(C)C)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H20N2O4/c1-13(2)19-11-16(14(3)8-20(19)27-4)9-17(12-22)21(24)15-6-5-7-18(10-15)23(25)26/h5-11,13H,1-4H3/b17-9+