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

Systemtic Name: (E)-N-[3-chloranyl-2-(4-propanoylpiperazin-1-yl)phenyl]-3-(3-nitrophenyl)prop-2-enamide Openeye Name: (E)-N-[3-chloro-2-(4-propanoylpiperazin-1-yl)phenyl]-3-(3-nitrophenyl)prop-2-enamide CAS Name: (E)-N-[3-chloro-2-[4-(1-oxopropyl)-1-piperazinyl]phenyl]-3-(3-nitrophenyl)-2-propenamide IUPAC Name: (E)-N-[3-chloro-2-(4-propanoylpiperazin-1-yl)phenyl]-3-(3-nitrophenyl)prop-2-enamide Traditional Name: (E)-N-[3-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=CC=C2Cl)NC(=O)C=CC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCC(=O)N1CCN(CC1)C2=C(C=CC=C2Cl)NC(=O)/C=C/C3=CC(=CC=C3)[N+](=O)[O-]

InChI

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