3-(3,4-dimethoxyphenyl)-7-nitro-3,4-dihydroisochromen-1-one

Systemtic Name: 3-(3,4-dimethoxyphenyl)-7-nitro-3,4-dihydroisochromen-1-one Openeye Name: 3-(3,4-dimethoxyphenyl)-7-nitro-isochroman-1-one CAS Name: 3-(3,4-dimethoxyphenyl)-7-nitro-3,4-dihydro-1H-2-benzopyran-1-one IUPAC Name: 3-(3,4-dimethoxyphenyl)-7-nitro-3,4-dihydroisochromen-1-one Traditional Name: 3-(3,4-dimethoxyphenyl)-7-nitro-isochroman-1-one Formula: C17H15NO6 MolecularWeight: 329.3041

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2CC3=C(C=C(C=C3)[N+](=O)[O-])C(=O)O2)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2CC3=C(C=C(C=C3)[N+](=O)[O-])C(=O)O2)OC

InChI

InChI=1S/C17H15NO6/c1-22-14-6-4-11(8-16(14)23-2)15-7-10-3-5-12(18(20)21)9-13(10)17(19)24-15/h3-6,8-9,15H,7H2,1-2H3