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

Systemtic Name: 4-[(4-ethanoylpiperazin-1-yl)methyl]-3-nitro-benzamide Openeye Name: 4-[(4-acetylpiperazin-1-yl)methyl]-3-nitro-benzamide CAS Name: 4-[(4-acetyl-1-piperazinyl)methyl]-3-nitrobenzamide IUPAC Name: 4-[(4-acetylpiperazin-1-yl)methyl]-3-nitrobenzamide Traditional Name: 4-[(4-acetylpiperazino)methyl]-3-nitro-benzamide Formula: C14H18N4O4 MolecularWeight: 306.31712

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)CC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

CC(=O)N1CCN(CC1)CC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C14H18N4O4/c1-10(19)17-6-4-16(5-7-17)9-12-3-2-11(14(15)20)8-13(12)18(21)22/h2-3,8H,4-7,9H2,1H3,(H2,15,20)