2-(3,4-dihydro-1H-isochromen-1-yl)-2-nitro-1-phenyl-ethanone

Systemtic Name: 2-(3,4-dihydro-1H-isochromen-1-yl)-2-nitro-1-phenyl-ethanone Openeye Name: 2-isochroman-1-yl-2-nitro-1-phenyl-ethanone CAS Name: 2-(3,4-dihydro-1H-2-benzopyran-1-yl)-2-nitro-1-phenylethanone IUPAC Name: 2-(3,4-dihydro-1H-isochromen-1-yl)-2-nitro-1-phenylethanone Traditional Name: 2-isochroman-1-yl-2-nitro-1-phenyl-ethanone Formula: C17H15NO4 MolecularWeight: 297.3053

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Descriptors Computed from Structure

Canonical SMILES:

C1COC(C2=CC=CC=C21)C(C(=O)C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1COC(C2=CC=CC=C21)C(C(=O)C3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H15NO4/c19-16(13-7-2-1-3-8-13)15(18(20)21)17-14-9-5-4-6-12(14)10-11-22-17/h1-9,15,17H,10-11H2