4-(2-methyl-4-nitro-phenyl)piperazine-1-carboxylic acid

Systemtic Name: 4-(2-methyl-4-nitro-phenyl)piperazine-1-carboxylic acid Openeye Name: 4-(2-methyl-4-nitro-phenyl)piperazine-1-carboxylic acid CAS Name: 4-(2-methyl-4-nitrophenyl)-1-piperazinecarboxylic acid IUPAC Name: 4-(2-methyl-4-nitrophenyl)piperazine-1-carboxylic acid Traditional Name: 4-(2-methyl-4-nitro-phenyl)piperazine-1-carboxylic acid Formula: C12H15N3O4 MolecularWeight: 265.2652

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15N3O4/c1-9-8-10(15(18)19)2-3-11(9)13-4-6-14(7-5-13)12(16)17/h2-3,8H,4-7H2,1H3,(H,16,17)