4-(4-ethanoylpiperazin-1-yl)-N-methyl-3-nitro-N-[(3-nitrophenyl)methyl]benzamide

Systemtic Name: 4-(4-ethanoylpiperazin-1-yl)-N-methyl-3-nitro-N-[(3-nitrophenyl)methyl]benzamide Openeye Name: 4-(4-acetylpiperazin-1-yl)-N-methyl-3-nitro-N-[(3-nitrophenyl)methyl]benzamide CAS Name: 4-(4-acetyl-1-piperazinyl)-N-methyl-3-nitro-N-[(3-nitrophenyl)methyl]benzamide IUPAC Name: 4-(4-acetylpiperazin-1-yl)-N-methyl-3-nitro-N-[(3-nitrophenyl)methyl]benzamide Traditional Name: 4-(4-acetylpiperazino)-N-methyl-3-nitro-N-(3-nitrobenzyl)benzamide Formula: C21H23N5O6 MolecularWeight: 441.43722

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C2=C(C=C(C=C2)C(=O)N(C)CC3=CC(=CC=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC(=O)N1CCN(CC1)C2=C(C=C(C=C2)C(=O)N(C)CC3=CC(=CC=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C21H23N5O6/c1-15(27)23-8-10-24(11-9-23)19-7-6-17(13-20(19)26(31)32)21(28)22(2)14-16-4-3-5-18(12-16)25(29)30/h3-7,12-13H,8-11,14H2,1-2H3