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

Systemtic Name: (E)-3-(3-nitrophenyl)-N-[[4-(3-oxidanylidenepiperazin-1-yl)phenyl]methyl]prop-2-enamide Openeye Name: (E)-3-(3-nitrophenyl)-N-[[4-(3-oxopiperazin-1-yl)phenyl]methyl]prop-2-enamide CAS Name: (E)-3-(3-nitrophenyl)-N-[[4-(3-oxo-1-piperazinyl)phenyl]methyl]-2-propenamide IUPAC Name: (E)-3-(3-nitrophenyl)-N-[[4-(3-oxopiperazin-1-yl)phenyl]methyl]prop-2-enamide Traditional Name: (E)-N-[4-(3-ketopiperazino)benzyl]-3-(3-nitrophenyl)acrylamide Formula: C20H20N4O4 MolecularWeight: 380.3972

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(=O)N1)C2=CC=C(C=C2)CNC(=O)C=CC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC(=O)N1)C2=CC=C(C=C2)CNC(=O)/C=C/C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H20N4O4/c25-19(9-6-15-2-1-3-18(12-15)24(27)28)22-13-16-4-7-17(8-5-16)23-11-10-21-20(26)14-23/h1-9,12H,10-11,13-14H2,(H,21,26)(H,22,25)/b9-6+