1-chloranyl-3-[(3-chloranyl-5-nitro-3-oxidanyl-cyclohexa-1,4-dien-1-yl)-(2-methylpropoxy)methyl]-5-nitro-cyclohexa-2,5-dien-1-ol

Systemtic Name: 1-chloranyl-3-[(3-chloranyl-5-nitro-3-oxidanyl-cyclohexa-1,4-dien-1-yl)-(2-methylpropoxy)methyl]-5-nitro-cyclohexa-2,5-dien-1-ol Openeye Name: 1-chloro-3-[(3-chloro-3-hydroxy-5-nitro-cyclohexa-1,4-dien-1-yl)-isobutoxy-methyl]-5-nitro-cyclohexa-2,5-dien-1-ol CAS Name: 1-chloro-3-[(3-chloro-3-hydroxy-5-nitro-1-cyclohexa-1,4-dienyl)-(2-methylpropoxy)methyl]-5-nitro-1-cyclohexa-2,5-dienol IUPAC Name: 1-chloro-3-[(3-chloro-3-hydroxy-5-nitrocyclohexa-1,4-dien-1-yl)-(2-methylpropoxy)methyl]-5-nitrocyclohexa-2,5-dien-1-ol Traditional Name: 1-chloro-3-[(3-chloro-3-hydroxy-5-nitro-cyclohexa-1,4-dien-1-yl)-isobutoxy-methyl]-5-nitro-cyclohexa-2,5-dien-1-ol Formula: C17H20Cl2N2O7 MolecularWeight: 435.2559

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(C1=CC(C=C(C1)[N+](=O)[O-])(O)Cl)C2=CC(C=C(C2)[N+](=O)[O-])(O)Cl

Isomeric SMILES

CC(C)COC(C1=CC(C=C(C1)[N+](=O)[O-])(O)Cl)C2=CC(C=C(C2)[N+](=O)[O-])(O)Cl

InChI

InChI=1S/C17H20Cl2N2O7/c1-10(2)9-28-15(11-3-13(20(24)25)7-16(18,22)5-11)12-4-14(21(26)27)8-17(19,23)6-12/h5-8,10,15,22-23H,3-4,9H2,1-2H3