(Z)-3-(4-chloranyl-3-nitro-phenyl)-2-(4-phenylpiperazin-1-yl)carbonyl-prop-2-enenitrile

Systemtic Name: (Z)-3-(4-chloranyl-3-nitro-phenyl)-2-(4-phenylpiperazin-1-yl)carbonyl-prop-2-enenitrile Openeye Name: (Z)-3-(4-chloro-3-nitro-phenyl)-2-(4-phenylpiperazine-1-carbonyl)prop-2-enenitrile CAS Name: (Z)-3-(4-chloro-3-nitrophenyl)-2-[oxo-(4-phenyl-1-piperazinyl)methyl]-2-propenenitrile IUPAC Name: (Z)-3-(4-chloro-3-nitrophenyl)-2-(4-phenylpiperazine-1-carbonyl)prop-2-enenitrile Traditional Name: (Z)-3-(4-chloro-3-nitro-phenyl)-2-(4-phenylpiperazine-1-carbonyl)acrylonitrile Formula: C20H17ClN4O3 MolecularWeight: 396.82698

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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