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

Systemtic Name: (E)-3-(4-chloranyl-3-nitro-phenyl)-N-[4-(4-ethanoylpiperazin-1-yl)phenyl]prop-2-enamide Openeye Name: (E)-N-[4-(4-acetylpiperazin-1-yl)phenyl]-3-(4-chloro-3-nitro-phenyl)prop-2-enamide CAS Name: (E)-N-[4-(4-acetyl-1-piperazinyl)phenyl]-3-(4-chloro-3-nitrophenyl)-2-propenamide IUPAC Name: (E)-N-[4-(4-acetylpiperazin-1-yl)phenyl]-3-(4-chloro-3-nitrophenyl)prop-2-enamide Traditional Name: (E)-N-[4-(4-acetylpiperazino)phenyl]-3-(4-chloro-3-nitro-phenyl)acrylamide Formula: C21H21ClN4O4 MolecularWeight: 428.86884

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21ClN4O4/c1-15(27)24-10-12-25(13-11-24)18-6-4-17(5-7-18)23-21(28)9-3-16-2-8-19(22)20(14-16)26(29)30/h2-9,14H,10-13H2,1H3,(H,23,28)/b9-3+