(E)-3-(3-chlorophenyl)-2-[4-(4-nitrophenyl)piperazin-1-yl]carbonyl-prop-2-enenitrile

Systemtic Name: (E)-3-(3-chlorophenyl)-2-[4-(4-nitrophenyl)piperazin-1-yl]carbonyl-prop-2-enenitrile Openeye Name: (E)-3-(3-chlorophenyl)-2-[4-(4-nitrophenyl)piperazine-1-carbonyl]prop-2-enenitrile CAS Name: (E)-3-(3-chlorophenyl)-2-[[4-(4-nitrophenyl)-1-piperazinyl]-oxomethyl]-2-propenenitrile IUPAC Name: (E)-3-(3-chlorophenyl)-2-[4-(4-nitrophenyl)piperazine-1-carbonyl]prop-2-enenitrile Traditional Name: (E)-3-(3-chlorophenyl)-2-[4-(4-nitrophenyl)piperazine-1-carbonyl]acrylonitrile Formula: C20H17ClN4O3 MolecularWeight: 396.82698

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)C(=CC3=CC(=CC=C3)Cl)C#N

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)/C(=C/C3=CC(=CC=C3)Cl)/C#N

InChI

InChI=1S/C20H17ClN4O3/c21-17-3-1-2-15(13-17)12-16(14-22)20(26)24-10-8-23(9-11-24)18-4-6-19(7-5-18)25(27)28/h1-7,12-13H,8-11H2/b16-12+