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

Systemtic Name: 1-[4-[6-chloranyl-2-nitro-3,4-bis(oxidanyl)phenyl]-4-oxidanylidene-butyl]urea Openeye Name: [4-(6-chloro-3,4-dihydroxy-2-nitro-phenyl)-4-oxo-butyl]urea CAS Name: [4-(6-chloro-3,4-dihydroxy-2-nitrophenyl)-4-oxobutyl]urea IUPAC Name: [4-(6-chloro-3,4-dihydroxy-2-nitrophenyl)-4-oxobutyl]urea Traditional Name: [4-(6-chloro-3,4-dihydroxy-2-nitro-phenyl)-4-keto-butyl]urea Formula: C11H12ClN3O6 MolecularWeight: 317.68248

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C(=C(C(=C1Cl)C(=O)CCCNC(=O)N)[N+](=O)[O-])O)O

Isomeric SMILES

C1=C(C(=C(C(=C1Cl)C(=O)CCCNC(=O)N)[N+](=O)[O-])O)O

InChI

InChI=1S/C11H12ClN3O6/c12-5-4-7(17)10(18)9(15(20)21)8(5)6(16)2-1-3-14-11(13)19/h4,17-18H,1-3H2,(H3,13,14,19)