(E)-2-[(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)carbonyl]-3-(3-ethoxy-4-methoxy-phenyl)prop-2-enenitrile

Systemtic Name: (E)-2-[(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)carbonyl]-3-(3-ethoxy-4-methoxy-phenyl)prop-2-enenitrile Openeye Name: (E)-2-(4-acetyl-3,5-dimethyl-1H-pyrrole-2-carbonyl)-3-(3-ethoxy-4-methoxy-phenyl)prop-2-enenitrile CAS Name: (E)-2-[(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-oxomethyl]-3-(3-ethoxy-4-methoxyphenyl)-2-propenenitrile IUPAC Name: (E)-2-(4-acetyl-3,5-dimethyl-1H-pyrrole-2-carbonyl)-3-(3-ethoxy-4-methoxyphenyl)prop-2-enenitrile Traditional Name: (E)-2-(4-acetyl-3,5-dimethyl-1H-pyrrole-2-carbonyl)-3-(3-ethoxy-4-methoxy-phenyl)acrylonitrile Formula: C21H22N2O4 MolecularWeight: 366.41038

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=C(C#N)C(=O)C2=C(C(=C(N2)C)C(=O)C)C)OC

Isomeric SMILES

CCOC1=C(C=CC(=C1)/C=C(\C#N)/C(=O)C2=C(C(=C(N2)C)C(=O)C)C)OC

InChI

InChI=1S/C21H22N2O4/c1-6-27-18-10-15(7-8-17(18)26-5)9-16(11-22)21(25)20-12(2)19(14(4)24)13(3)23-20/h7-10,23H,6H2,1-5H3/b16-9+