4-(2-methoxycarbonyl-6-nitro-phenyl)piperazine-1-carboxylic acid

Systemtic Name: 4-(2-methoxycarbonyl-6-nitro-phenyl)piperazine-1-carboxylic acid Openeye Name: 4-(2-methoxycarbonyl-6-nitro-phenyl)piperazine-1-carboxylic acid CAS Name: 4-(2-methoxycarbonyl-6-nitrophenyl)-1-piperazinecarboxylic acid IUPAC Name: 4-(2-methoxycarbonyl-6-nitrophenyl)piperazine-1-carboxylic acid Traditional Name: 4-(2-carbomethoxy-6-nitro-phenyl)piperazine-1-carboxylic acid Formula: C13H15N3O6 MolecularWeight: 309.2747

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15N3O6/c1-22-12(17)9-3-2-4-10(16(20)21)11(9)14-5-7-15(8-6-14)13(18)19/h2-4H,5-8H2,1H3,(H,18,19)