3,6-dimethoxy-2-[4-(3-methoxy-2-oxidanyl-phenyl)-2-nitro-butyl]phenol

Systemtic Name: 3,6-dimethoxy-2-[4-(3-methoxy-2-oxidanyl-phenyl)-2-nitro-butyl]phenol Openeye Name: 2-[4-(2-hydroxy-3-methoxy-phenyl)-2-nitro-butyl]-3,6-dimethoxy-phenol CAS Name: 2-[4-(2-hydroxy-3-methoxyphenyl)-2-nitrobutyl]-3,6-dimethoxyphenol IUPAC Name: 2-[4-(2-hydroxy-3-methoxyphenyl)-2-nitrobutyl]-3,6-dimethoxyphenol Traditional Name: 2-[4-(2-hydroxy-3-methoxy-phenyl)-2-nitro-butyl]-3,6-dimethoxy-phenol Formula: C19H23NO7 MolecularWeight: 377.38842

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)OC)O)CC(CCC2=C(C(=CC=C2)OC)O)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C(=C(C=C1)OC)O)CC(CCC2=C(C(=CC=C2)OC)O)[N+](=O)[O-]

InChI

InChI=1S/C19H23NO7/c1-25-15-9-10-17(27-3)19(22)14(15)11-13(20(23)24)8-7-12-5-4-6-16(26-2)18(12)21/h4-6,9-10,13,21-22H,7-8,11H2,1-3H3