7-nitro-4-[(4-phenylmethoxyphenyl)methyl]-1,4-dihydroisochromen-3-one

Systemtic Name: 7-nitro-4-[(4-phenylmethoxyphenyl)methyl]-1,4-dihydroisochromen-3-one Openeye Name: 4-[(4-benzyloxyphenyl)methyl]-7-nitro-isochroman-3-one CAS Name: 7-nitro-4-[(4-phenylmethoxyphenyl)methyl]-3,4-dihydro-1H-2-benzopyran-3-one IUPAC Name: 7-nitro-4-[(4-phenylmethoxyphenyl)methyl]-1,4-dihydroisochromen-3-one Traditional Name: 4-(4-benzoxybenzyl)-7-nitro-isochroman-3-one Formula: C23H19NO5 MolecularWeight: 389.40066

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(C=CC(=C2)[N+](=O)[O-])C(C(=O)O1)CC3=CC=C(C=C3)OCC4=CC=CC=C4

Isomeric SMILES

C1C2=C(C=CC(=C2)[N+](=O)[O-])C(C(=O)O1)CC3=CC=C(C=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C23H19NO5/c25-23-22(21-11-8-19(24(26)27)13-18(21)15-29-23)12-16-6-9-20(10-7-16)28-14-17-4-2-1-3-5-17/h1-11,13,22H,12,14-15H2