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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23ClN4O4/c1-2-22(29)26-13-11-25(12-14-26)18-7-5-17(6-8-18)24-21(28)10-4-16-3-9-19(23)20(15-16)27(30)31/h3-10,15H,2,11-14H2,1H3,(H,24,28)/b10-4+