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

Systemtic Name: (E)-3-(4-chloranyl-3-nitro-phenyl)-N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]prop-2-enamide Openeye Name: (E)-3-(4-chloro-3-nitro-phenyl)-N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]prop-2-enamide CAS Name: (E)-3-(4-chloro-3-nitrophenyl)-N-[4-(4-ethyl-1-piperazin-4-iumyl)phenyl]-2-propenamide IUPAC Name: (E)-3-(4-chloro-3-nitrophenyl)-N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]prop-2-enamide Traditional Name: (E)-3-(4-chloro-3-nitro-phenyl)-N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]acrylamide Formula: C21H24ClN4O3+ MolecularWeight: 415.89326

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=CC=C(C=C2)NC(=O)C=CC3=CC(=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=CC=C(C=C2)NC(=O)/C=C/C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C21H23ClN4O3/c1-2-24-11-13-25(14-12-24)18-7-5-17(6-8-18)23-21(27)10-4-16-3-9-19(22)20(15-16)26(28)29/h3-10,15H,2,11-14H2,1H3,(H,23,27)/p+1/b10-4+