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

Systemtic Name: 2-[4-[(2-methyl-3-nitro-phenyl)methyl]piperazin-1-yl]ethanoic acid Openeye Name: 2-[4-[(2-methyl-3-nitro-phenyl)methyl]piperazin-1-yl]acetic acid CAS Name: 2-[4-[(2-methyl-3-nitrophenyl)methyl]-1-piperazinyl]acetic acid IUPAC Name: 2-[4-[(2-methyl-3-nitrophenyl)methyl]piperazin-1-yl]acetic acid Traditional Name: 2-[4-(2-methyl-3-nitro-benzyl)piperazino]acetic acid Formula: C14H19N3O4 MolecularWeight: 293.31836

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])CN2CCN(CC2)CC(=O)O

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])CN2CCN(CC2)CC(=O)O

InChI

InChI=1S/C14H19N3O4/c1-11-12(3-2-4-13(11)17(20)21)9-15-5-7-16(8-6-15)10-14(18)19/h2-4H,5-10H2,1H3,(H,18,19)