3-(1,3-benzodioxol-5-yl)-7-nitro-3,4-dihydroisochromen-1-one

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-7-nitro-3,4-dihydroisochromen-1-one Openeye Name: 3-(1,3-benzodioxol-5-yl)-7-nitro-isochroman-1-one CAS Name: 3-(1,3-benzodioxol-5-yl)-7-nitro-3,4-dihydro-1H-2-benzopyran-1-one IUPAC Name: 3-(1,3-benzodioxol-5-yl)-7-nitro-3,4-dihydroisochromen-1-one Traditional Name: 3-(1,3-benzodioxol-5-yl)-7-nitro-isochroman-1-one Formula: C16H11NO6 MolecularWeight: 313.26164

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC(=O)C2=C1C=CC(=C2)[N+](=O)[O-])C3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1C(OC(=O)C2=C1C=CC(=C2)[N+](=O)[O-])C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C16H11NO6/c18-16-12-7-11(17(19)20)3-1-9(12)5-14(23-16)10-2-4-13-15(6-10)22-8-21-13/h1-4,6-7,14H,5,8H2