6,7-dimethoxy-1-(4-nitrophenyl)-3,4-dihydro-1H-isochromene

Systemtic Name: 6,7-dimethoxy-1-(4-nitrophenyl)-3,4-dihydro-1H-isochromene Openeye Name: 6,7-dimethoxy-1-(4-nitrophenyl)isochromane CAS Name: 6,7-dimethoxy-1-(4-nitrophenyl)-3,4-dihydro-1H-2-benzopyran IUPAC Name: 6,7-dimethoxy-1-(4-nitrophenyl)-3,4-dihydro-1H-isochromene Traditional Name: 6,7-dimethoxy-1-(4-nitrophenyl)isochroman Formula: C17H17NO5 MolecularWeight: 315.32058

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(OCCC2=C1)C3=CC=C(C=C3)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C2C(OCCC2=C1)C3=CC=C(C=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C17H17NO5/c1-21-15-9-12-7-8-23-17(14(12)10-16(15)22-2)11-3-5-13(6-4-11)18(19)20/h3-6,9-10,17H,7-8H2,1-2H3