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

Systemtic Name: 1-[2-[6-chloranyl-2-nitro-3,4-bis(oxidanyl)phenyl]-1-cyclopropyl-2-oxidanylidene-ethyl]urea Openeye Name: [2-(6-chloro-3,4-dihydroxy-2-nitro-phenyl)-1-cyclopropyl-2-oxo-ethyl]urea CAS Name: [2-(6-chloro-3,4-dihydroxy-2-nitrophenyl)-1-cyclopropyl-2-oxoethyl]urea IUPAC Name: [2-(6-chloro-3,4-dihydroxy-2-nitrophenyl)-1-cyclopropyl-2-oxoethyl]urea Traditional Name: [2-(6-chloro-3,4-dihydroxy-2-nitro-phenyl)-1-cyclopropyl-2-keto-ethyl]urea Formula: C12H12ClN3O6 MolecularWeight: 329.69318

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C(C(=O)C2=C(C=C(C(=C2[N+](=O)[O-])O)O)Cl)NC(=O)N

Isomeric SMILES

C1CC1C(C(=O)C2=C(C=C(C(=C2[N+](=O)[O-])O)O)Cl)NC(=O)N

InChI

InChI=1S/C12H12ClN3O6/c13-5-3-6(17)10(18)9(16(21)22)7(5)11(19)8(4-1-2-4)15-12(14)20/h3-4,8,17-18H,1-2H2,(H3,14,15,20)