N-[5-chloranyl-2-(4-methylpiperazin-1-yl)phenyl]-4-methyl-3-nitro-benzamide

Systemtic Name: N-[5-chloranyl-2-(4-methylpiperazin-1-yl)phenyl]-4-methyl-3-nitro-benzamide Openeye Name: N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-4-methyl-3-nitro-benzamide CAS Name: N-[5-chloro-2-(4-methyl-1-piperazinyl)phenyl]-4-methyl-3-nitrobenzamide IUPAC Name: N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-4-methyl-3-nitrobenzamide Traditional Name: N-[5-chloro-2-(4-methylpiperazino)phenyl]-4-methyl-3-nitro-benzamide Formula: C19H21ClN4O3 MolecularWeight: 388.84804

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2=C(C=CC(=C2)Cl)N3CCN(CC3)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2=C(C=CC(=C2)Cl)N3CCN(CC3)C)[N+](=O)[O-]

InChI

InChI=1S/C19H21ClN4O3/c1-13-3-4-14(11-18(13)24(26)27)19(25)21-16-12-15(20)5-6-17(16)23-9-7-22(2)8-10-23/h3-6,11-12H,7-10H2,1-2H3,(H,21,25)