3-[3-nitro-4,5-bis(oxidanyl)phenyl]-2-oxidanylidene-3-propyl-piperazine-1-carboxylic acid

Systemtic Name: 3-[3-nitro-4,5-bis(oxidanyl)phenyl]-2-oxidanylidene-3-propyl-piperazine-1-carboxylic acid Openeye Name: 3-(3,4-dihydroxy-5-nitro-phenyl)-2-oxo-3-propyl-piperazine-1-carboxylic acid CAS Name: 3-(3,4-dihydroxy-5-nitrophenyl)-2-oxo-3-propyl-1-piperazinecarboxylic acid IUPAC Name: 3-(3,4-dihydroxy-5-nitrophenyl)-2-oxo-3-propylpiperazine-1-carboxylic acid Traditional Name: 3-(3,4-dihydroxy-5-nitro-phenyl)-2-keto-3-propyl-piperazine-1-carboxylic acid Formula: C14H17N3O7 MolecularWeight: 339.30068

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1(C(=O)N(CCN1)C(=O)O)C2=CC(=C(C(=C2)O)O)[N+](=O)[O-]

Isomeric SMILES

CCCC1(C(=O)N(CCN1)C(=O)O)C2=CC(=C(C(=C2)O)O)[N+](=O)[O-]

InChI

InChI=1S/C14H17N3O7/c1-2-3-14(12(20)16(13(21)22)5-4-15-14)8-6-9(17(23)24)11(19)10(18)7-8/h6-7,15,18-19H,2-5H2,1H3,(H,21,22)