N-[3-chloranyl-4-(4-ethanoylpiperazin-1-yl)phenyl]-4-methoxy-3-nitro-benzamide

Systemtic Name: N-[3-chloranyl-4-(4-ethanoylpiperazin-1-yl)phenyl]-4-methoxy-3-nitro-benzamide Openeye Name: N-[4-(4-acetylpiperazin-1-yl)-3-chloro-phenyl]-4-methoxy-3-nitro-benzamide CAS Name: N-[4-(4-acetyl-1-piperazinyl)-3-chlorophenyl]-4-methoxy-3-nitrobenzamide IUPAC Name: N-[4-(4-acetylpiperazin-1-yl)-3-chlorophenyl]-4-methoxy-3-nitrobenzamide Traditional Name: N-[4-(4-acetylpiperazino)-3-chloro-phenyl]-4-methoxy-3-nitro-benzamide Formula: C20H21ClN4O5 MolecularWeight: 432.85754

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21ClN4O5/c1-13(26)23-7-9-24(10-8-23)17-5-4-15(12-16(17)21)22-20(27)14-3-6-19(30-2)18(11-14)25(28)29/h3-6,11-12H,7-10H2,1-2H3,(H,22,27)