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

Systemtic Name: (E)-N-[4-(4-butanoylpiperazin-1-yl)phenyl]-3-(4-chloranyl-3-nitro-phenyl)prop-2-enamide Openeye Name: (E)-N-[4-(4-butanoylpiperazin-1-yl)phenyl]-3-(4-chloro-3-nitro-phenyl)prop-2-enamide CAS Name: (E)-3-(4-chloro-3-nitrophenyl)-N-[4-[4-(1-oxobutyl)-1-piperazinyl]phenyl]-2-propenamide IUPAC Name: (E)-N-[4-(4-butanoylpiperazin-1-yl)phenyl]-3-(4-chloro-3-nitrophenyl)prop-2-enamide Traditional Name: (E)-N-[4-(4-butyrylpiperazino)phenyl]-3-(4-chloro-3-nitro-phenyl)acrylamide Formula: C23H25ClN4O4 MolecularWeight: 456.922

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25ClN4O4/c1-2-3-23(30)27-14-12-26(13-15-27)19-8-6-18(7-9-19)25-22(29)11-5-17-4-10-20(24)21(16-17)28(31)32/h4-11,16H,2-3,12-15H2,1H3,(H,25,29)/b11-5+