N-(5-tert-butyl-2-methoxy-phenyl)-4-(4-methylpiperazin-1-yl)-3-nitro-benzamide

Systemtic Name: N-(5-tert-butyl-2-methoxy-phenyl)-4-(4-methylpiperazin-1-yl)-3-nitro-benzamide Openeye Name: N-(5-tert-butyl-2-methoxy-phenyl)-4-(4-methylpiperazin-1-yl)-3-nitro-benzamide CAS Name: N-(5-tert-butyl-2-methoxyphenyl)-4-(4-methyl-1-piperazinyl)-3-nitrobenzamide IUPAC Name: N-(5-tert-butyl-2-methoxyphenyl)-4-(4-methylpiperazin-1-yl)-3-nitrobenzamide Traditional Name: N-(5-tert-butyl-2-methoxy-phenyl)-4-(4-methylpiperazino)-3-nitro-benzamide Formula: C23H30N4O4 MolecularWeight: 426.5087

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(C=C1)OC)NC(=O)C2=CC(=C(C=C2)N3CCN(CC3)C)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC(=C(C=C1)OC)NC(=O)C2=CC(=C(C=C2)N3CCN(CC3)C)[N+](=O)[O-]

InChI

InChI=1S/C23H30N4O4/c1-23(2,3)17-7-9-21(31-5)18(15-17)24-22(28)16-6-8-19(20(14-16)27(29)30)26-12-10-25(4)11-13-26/h6-9,14-15H,10-13H2,1-5H3,(H,24,28)