3-[[(4,5-dimethoxy-2-nitro-phenyl)amino]methyl]-7,8-dimethoxy-2,3-dihydrochromen-4-one

Systemtic Name: 3-[[(4,5-dimethoxy-2-nitro-phenyl)amino]methyl]-7,8-dimethoxy-2,3-dihydrochromen-4-one Openeye Name: 3-[(4,5-dimethoxy-2-nitro-anilino)methyl]-7,8-dimethoxy-chroman-4-one CAS Name: 3-[(4,5-dimethoxy-2-nitroanilino)methyl]-7,8-dimethoxy-3,4-dihydro-2H-1-benzopyran-4-one IUPAC Name: 3-[(4,5-dimethoxy-2-nitroanilino)methyl]-7,8-dimethoxy-2,3-dihydrochromen-4-one Traditional Name: 3-[(4,5-dimethoxy-2-nitro-anilino)methyl]-7,8-dimethoxy-chroman-4-one Formula: C20H22N2O8 MolecularWeight: 418.39728

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=C(C=C1)C(=O)C(CO2)CNC3=CC(=C(C=C3[N+](=O)[O-])OC)OC)OC

Isomeric SMILES

COC1=C(C2=C(C=C1)C(=O)C(CO2)CNC3=CC(=C(C=C3[N+](=O)[O-])OC)OC)OC

InChI

InChI=1S/C20H22N2O8/c1-26-15-6-5-12-18(23)11(10-30-19(12)20(15)29-4)9-21-13-7-16(27-2)17(28-3)8-14(13)22(24)25/h5-8,11,21H,9-10H2,1-4H3