4-[4-(4-ethanoylphenyl)piperazin-1-yl]-3-nitro-benzoic acid

Systemtic Name: 4-[4-(4-ethanoylphenyl)piperazin-1-yl]-3-nitro-benzoic acid Openeye Name: 4-[4-(4-acetylphenyl)piperazin-1-yl]-3-nitro-benzoic acid CAS Name: 4-[4-(4-acetylphenyl)-1-piperazinyl]-3-nitrobenzoic acid IUPAC Name: 4-[4-(4-acetylphenyl)piperazin-1-yl]-3-nitrobenzoic acid Traditional Name: 4-[4-(4-acetylphenyl)piperazino]-3-nitro-benzoic acid Formula: C19H19N3O5 MolecularWeight: 369.37126

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C3=C(C=C(C=C3)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C3=C(C=C(C=C3)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C19H19N3O5/c1-13(23)14-2-5-16(6-3-14)20-8-10-21(11-9-20)17-7-4-15(19(24)25)12-18(17)22(26)27/h2-7,12H,8-11H2,1H3,(H,24,25)