4-(3-methyl-2-nitro-phenyl)piperazine-1-carboxylic acid

Systemtic Name: 4-(3-methyl-2-nitro-phenyl)piperazine-1-carboxylic acid Openeye Name: 4-(3-methyl-2-nitro-phenyl)piperazine-1-carboxylic acid CAS Name: 4-(3-methyl-2-nitrophenyl)-1-piperazinecarboxylic acid IUPAC Name: 4-(3-methyl-2-nitrophenyl)piperazine-1-carboxylic acid Traditional Name: 4-(3-methyl-2-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)N2CCN(CC2)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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