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

Systemtic Name: 4-[(2-methoxycarbonyl-4-nitro-phenyl)methyl]piperazine-1-carboxylic acid Openeye Name: 4-[(2-methoxycarbonyl-4-nitro-phenyl)methyl]piperazine-1-carboxylic acid CAS Name: 4-[(2-methoxycarbonyl-4-nitrophenyl)methyl]-1-piperazinecarboxylic acid IUPAC Name: 4-[(2-methoxycarbonyl-4-nitrophenyl)methyl]piperazine-1-carboxylic acid Traditional Name: 4-(2-carbomethoxy-4-nitro-benzyl)piperazine-1-carboxylic acid Formula: C14H17N3O6 MolecularWeight: 323.30128

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17N3O6/c1-23-13(18)12-8-11(17(21)22)3-2-10(12)9-15-4-6-16(7-5-15)14(19)20/h2-3,8H,4-7,9H2,1H3,(H,19,20)