4-(4-ethanoylpiperazin-1-yl)-3-nitro-benzoic acid

Systemtic Name: 4-(4-ethanoylpiperazin-1-yl)-3-nitro-benzoic acid Openeye Name: 4-(4-acetylpiperazin-1-yl)-3-nitro-benzoic acid CAS Name: 4-(4-acetyl-1-piperazinyl)-3-nitrobenzoic acid IUPAC Name: 4-(4-acetylpiperazin-1-yl)-3-nitrobenzoic acid Traditional Name: 4-(4-acetylpiperazino)-3-nitro-benzoic acid Formula: C13H15N3O5 MolecularWeight: 293.2753

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15N3O5/c1-9(17)14-4-6-15(7-5-14)11-3-2-10(13(18)19)8-12(11)16(20)21/h2-3,8H,4-7H2,1H3,(H,18,19)