4-[4-[(E)-3-(2-nitrophenyl)prop-2-enoyl]piperazin-1-yl]benzenecarbonitrile

Systemtic Name: 4-[4-[(E)-3-(2-nitrophenyl)prop-2-enoyl]piperazin-1-yl]benzenecarbonitrile Openeye Name: 4-[4-[(E)-3-(2-nitrophenyl)prop-2-enoyl]piperazin-1-yl]benzonitrile CAS Name: 4-[4-[(E)-3-(2-nitrophenyl)-1-oxoprop-2-enyl]-1-piperazinyl]benzonitrile IUPAC Name: 4-[4-[(E)-3-(2-nitrophenyl)prop-2-enoyl]piperazin-1-yl]benzonitrile Traditional Name: 4-[4-[(E)-3-(2-nitrophenyl)acryloyl]piperazino]benzonitrile Formula: C20H18N4O3 MolecularWeight: 362.38192

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18N4O3/c21-15-16-5-8-18(9-6-16)22-11-13-23(14-12-22)20(25)10-7-17-3-1-2-4-19(17)24(26)27/h1-10H,11-14H2/b10-7+