2-[(3-azanylidene-5-nitro-2-oxidanyl-cyclohexa-1,5-dien-1-yl)methyl]-3,5-dimethoxy-phenol

Systemtic Name: 2-[(3-azanylidene-5-nitro-2-oxidanyl-cyclohexa-1,5-dien-1-yl)methyl]-3,5-dimethoxy-phenol Openeye Name: 2-[(2-hydroxy-3-imino-5-nitro-cyclohexa-1,5-dien-1-yl)methyl]-3,5-dimethoxy-phenol CAS Name: 2-[(2-hydroxy-3-imino-5-nitro-1-cyclohexa-1,5-dienyl)methyl]-3,5-dimethoxyphenol IUPAC Name: 2-[(2-hydroxy-3-imino-5-nitrocyclohexa-1,5-dien-1-yl)methyl]-3,5-dimethoxyphenol Traditional Name: 2-[(2-hydroxy-3-imino-5-nitro-cyclohexa-1,5-dien-1-yl)methyl]-3,5-dimethoxy-phenol Formula: C15H16N2O6 MolecularWeight: 320.29734

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C(=C1)OC)CC2=C(C(=N)CC(=C2)[N+](=O)[O-])O)O

Isomeric SMILES

COC1=CC(=C(C(=C1)OC)CC2=C(C(=N)CC(=C2)[N+](=O)[O-])O)O

InChI

InChI=1S/C15H16N2O6/c1-22-10-6-13(18)11(14(7-10)23-2)4-8-3-9(17(20)21)5-12(16)15(8)19/h3,6-7,16,18-19H,4-5H2,1-2H3