N-[5-chloranyl-2-(4-propanoylpiperazin-1-yl)phenyl]-3-(3-nitrophenyl)prop-2-enamide

Systemtic Name: N-[5-chloranyl-2-(4-propanoylpiperazin-1-yl)phenyl]-3-(3-nitrophenyl)prop-2-enamide Openeye Name: N-[5-chloro-2-(4-propanoylpiperazin-1-yl)phenyl]-3-(3-nitrophenyl)prop-2-enamide CAS Name: N-[5-chloro-2-[4-(1-oxopropyl)-1-piperazinyl]phenyl]-3-(3-nitrophenyl)-2-propenamide IUPAC Name: N-[5-chloro-2-(4-propanoylpiperazin-1-yl)phenyl]-3-(3-nitrophenyl)prop-2-enamide Traditional Name: N-[5-chloro-2-(4-propionylpiperazino)phenyl]-3-(3-nitrophenyl)acrylamide Formula: C22H23ClN4O4 MolecularWeight: 442.89542

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1CCN(CC1)C2=C(C=C(C=C2)Cl)NC(=O)C=CC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCC(=O)N1CCN(CC1)C2=C(C=C(C=C2)Cl)NC(=O)C=CC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H23ClN4O4/c1-2-22(29)26-12-10-25(11-13-26)20-8-7-17(23)15-19(20)24-21(28)9-6-16-4-3-5-18(14-16)27(30)31/h3-9,14-15H,2,10-13H2,1H3,(H,24,28)