3-[4-(4-methoxyphenoxy)-3-nitro-phenyl]-2-pyrrolidin-1-ylcarbonyl-prop-2-enenitrile

Systemtic Name: 3-[4-(4-methoxyphenoxy)-3-nitro-phenyl]-2-pyrrolidin-1-ylcarbonyl-prop-2-enenitrile Openeye Name: 3-[4-(4-methoxyphenoxy)-3-nitro-phenyl]-2-(pyrrolidine-1-carbonyl)prop-2-enenitrile CAS Name: 3-[4-(4-methoxyphenoxy)-3-nitrophenyl]-2-[oxo(1-pyrrolidinyl)methyl]-2-propenenitrile IUPAC Name: 3-[4-(4-methoxyphenoxy)-3-nitrophenyl]-2-(pyrrolidine-1-carbonyl)prop-2-enenitrile Traditional Name: 3-[4-(4-methoxyphenoxy)-3-nitro-phenyl]-2-(pyrrolidine-1-carbonyl)acrylonitrile Formula: C21H19N3O5 MolecularWeight: 393.39266

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)OC2=C(C=C(C=C2)C=C(C#N)C(=O)N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)OC2=C(C=C(C=C2)C=C(C#N)C(=O)N3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C21H19N3O5/c1-28-17-5-7-18(8-6-17)29-20-9-4-15(13-19(20)24(26)27)12-16(14-22)21(25)23-10-2-3-11-23/h4-9,12-13H,2-3,10-11H2,1H3