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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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