4-[2-methyl-4-(4-methylphenyl)piperazin-1-yl]-3-nitro-benzoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C2=C(C=C(C=C2)C(=O)O)[N+](=O)[O-])C3=CC=C(C=C3)C

Isomeric SMILES

CC1CN(CCN1C2=C(C=C(C=C2)C(=O)O)[N+](=O)[O-])C3=CC=C(C=C3)C

InChI

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