4-[4-(2,5-dimethylphenyl)piperazin-1-yl]-3-nitro-benzoic acid

Systemtic Name: 4-[4-(2,5-dimethylphenyl)piperazin-1-yl]-3-nitro-benzoic acid Openeye Name: 4-[4-(2,5-dimethylphenyl)piperazin-1-yl]-3-nitro-benzoic acid CAS Name: 4-[4-(2,5-dimethylphenyl)-1-piperazinyl]-3-nitrobenzoic acid IUPAC Name: 4-[4-(2,5-dimethylphenyl)piperazin-1-yl]-3-nitrobenzoic acid Traditional Name: 4-[4-(2,5-dimethylphenyl)piperazino]-3-nitro-benzoic acid Formula: C19H21N3O4 MolecularWeight: 355.38774

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N2CCN(CC2)C3=C(C=C(C=C3)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)C)N2CCN(CC2)C3=C(C=C(C=C3)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C19H21N3O4/c1-13-3-4-14(2)17(11-13)21-9-7-20(8-10-21)16-6-5-15(19(23)24)12-18(16)22(25)26/h3-6,11-12H,7-10H2,1-2H3,(H,23,24)