1-[6-[6-chloranyl-2-nitro-3,4-bis(oxidanyl)phenyl]-6-oxidanylidene-hexan-3-yl]urea

Systemtic Name: 1-[6-[6-chloranyl-2-nitro-3,4-bis(oxidanyl)phenyl]-6-oxidanylidene-hexan-3-yl]urea Openeye Name: [4-(6-chloro-3,4-dihydroxy-2-nitro-phenyl)-1-ethyl-4-oxo-butyl]urea CAS Name: [6-(6-chloro-3,4-dihydroxy-2-nitrophenyl)-6-oxohexan-3-yl]urea IUPAC Name: [6-(6-chloro-3,4-dihydroxy-2-nitrophenyl)-6-oxohexan-3-yl]urea Traditional Name: [4-(6-chloro-3,4-dihydroxy-2-nitro-phenyl)-1-ethyl-4-keto-butyl]urea Formula: C13H16ClN3O6 MolecularWeight: 345.73564

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CCC(=O)C1=C(C=C(C(=C1[N+](=O)[O-])O)O)Cl)NC(=O)N

Isomeric SMILES

CCC(CCC(=O)C1=C(C=C(C(=C1[N+](=O)[O-])O)O)Cl)NC(=O)N

InChI

InChI=1S/C13H16ClN3O6/c1-2-6(16-13(15)21)3-4-8(18)10-7(14)5-9(19)12(20)11(10)17(22)23/h5-6,19-20H,2-4H2,1H3,(H3,15,16,21)