2-[4-(3-methyl-4-nitro-phenyl)piperazin-1-yl]ethanoic acid

Systemtic Name: 2-[4-(3-methyl-4-nitro-phenyl)piperazin-1-yl]ethanoic acid Openeye Name: 2-[4-(3-methyl-4-nitro-phenyl)piperazin-1-yl]acetic acid CAS Name: 2-[4-(3-methyl-4-nitrophenyl)-1-piperazinyl]acetic acid IUPAC Name: 2-[4-(3-methyl-4-nitrophenyl)piperazin-1-yl]acetic acid Traditional Name: 2-[4-(3-methyl-4-nitro-phenyl)piperazino]acetic acid Formula: C13H17N3O4 MolecularWeight: 279.29178

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17N3O4/c1-10-8-11(2-3-12(10)16(19)20)15-6-4-14(5-7-15)9-13(17)18/h2-3,8H,4-7,9H2,1H3,(H,17,18)