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

Systemtic Name: 4-(3-nitro-2-phenylmethoxy-phenyl)piperazine-1-carboxylic acid Openeye Name: 4-(2-benzyloxy-3-nitro-phenyl)piperazine-1-carboxylic acid CAS Name: 4-(3-nitro-2-phenylmethoxyphenyl)-1-piperazinecarboxylic acid IUPAC Name: 4-(3-nitro-2-phenylmethoxyphenyl)piperazine-1-carboxylic acid Traditional Name: 4-(2-benzoxy-3-nitro-phenyl)piperazine-1-carboxylic acid Formula: C18H19N3O5 MolecularWeight: 357.36056

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C(=CC=C2)[N+](=O)[O-])OCC3=CC=CC=C3)C(=O)O

Isomeric SMILES

C1CN(CCN1C2=C(C(=CC=C2)[N+](=O)[O-])OCC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C18H19N3O5/c22-18(23)20-11-9-19(10-12-20)15-7-4-8-16(21(24)25)17(15)26-13-14-5-2-1-3-6-14/h1-8H,9-13H2,(H,22,23)