4-(4-ethanoylpiperazin-1-yl)-3-nitro-N-prop-2-ynyl-benzamide

Systemtic Name: 4-(4-ethanoylpiperazin-1-yl)-3-nitro-N-prop-2-ynyl-benzamide Openeye Name: 4-(4-acetylpiperazin-1-yl)-3-nitro-N-prop-2-ynyl-benzamide CAS Name: 4-(4-acetyl-1-piperazinyl)-3-nitro-N-prop-2-ynylbenzamide IUPAC Name: 4-(4-acetylpiperazin-1-yl)-3-nitro-N-prop-2-ynylbenzamide Traditional Name: 4-(4-acetylpiperazino)-3-nitro-N-propargyl-benzamide Formula: C16H18N4O4 MolecularWeight: 330.33852

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N4O4/c1-3-6-17-16(22)13-4-5-14(15(11-13)20(23)24)19-9-7-18(8-10-19)12(2)21/h1,4-5,11H,6-10H2,2H3,(H,17,22)