N-[3-chloranyl-4-(4-ethylpiperazin-1-yl)phenyl]-4-ethoxy-3-nitro-benzamide

Systemtic Name: N-[3-chloranyl-4-(4-ethylpiperazin-1-yl)phenyl]-4-ethoxy-3-nitro-benzamide Openeye Name: N-[3-chloro-4-(4-ethylpiperazin-1-yl)phenyl]-4-ethoxy-3-nitro-benzamide CAS Name: N-[3-chloro-4-(4-ethyl-1-piperazinyl)phenyl]-4-ethoxy-3-nitrobenzamide IUPAC Name: N-[3-chloro-4-(4-ethylpiperazin-1-yl)phenyl]-4-ethoxy-3-nitrobenzamide Traditional Name: N-[3-chloro-4-(4-ethylpiperazino)phenyl]-4-ethoxy-3-nitro-benzamide Formula: C21H25ClN4O4 MolecularWeight: 432.9006

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=C(C=C(C=C2)NC(=O)C3=CC(=C(C=C3)OCC)[N+](=O)[O-])Cl

Isomeric SMILES

CCN1CCN(CC1)C2=C(C=C(C=C2)NC(=O)C3=CC(=C(C=C3)OCC)[N+](=O)[O-])Cl

InChI

InChI=1S/C21H25ClN4O4/c1-3-24-9-11-25(12-10-24)18-7-6-16(14-17(18)22)23-21(27)15-5-8-20(30-4-2)19(13-15)26(28)29/h5-8,13-14H,3-4,9-12H2,1-2H3,(H,23,27)