(3S)-3-(4-nitrophenyl)-3,4-dihydroisochromen-1-one

Systemtic Name: (3S)-3-(4-nitrophenyl)-3,4-dihydroisochromen-1-one Openeye Name: (3S)-3-(4-nitrophenyl)isochroman-1-one CAS Name: (3S)-3-(4-nitrophenyl)-3,4-dihydro-1H-2-benzopyran-1-one IUPAC Name: (3S)-3-(4-nitrophenyl)-3,4-dihydroisochromen-1-one Traditional Name: (3S)-3-(4-nitrophenyl)isochroman-1-one Formula: C15H11NO4 MolecularWeight: 269.25214

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC(=O)C2=CC=CC=C21)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1[C@H](OC(=O)C2=CC=CC=C21)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C15H11NO4/c17-15-13-4-2-1-3-11(13)9-14(20-15)10-5-7-12(8-6-10)16(18)19/h1-8,14H,9H2/t14-/m0/s1