7-[(E)-2-(3-nitrophenyl)ethenyl]-3-(3-oxidanylpropyl)isochromen-1-one

Systemtic Name: 7-[(E)-2-(3-nitrophenyl)ethenyl]-3-(3-oxidanylpropyl)isochromen-1-one Openeye Name: 3-(3-hydroxypropyl)-7-[(E)-2-(3-nitrophenyl)vinyl]isochromen-1-one CAS Name: 3-(3-hydroxypropyl)-7-[(E)-2-(3-nitrophenyl)ethenyl]-2-benzopyran-1-one IUPAC Name: 3-(3-hydroxypropyl)-7-[(E)-2-(3-nitrophenyl)ethenyl]isochromen-1-one Traditional Name: 3-(3-hydroxypropyl)-7-[(E)-2-(3-nitrophenyl)vinyl]isocoumarin Formula: C20H17NO5 MolecularWeight: 351.35268

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C=CC2=CC3=C(C=C2)C=C(OC3=O)CCCO

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])/C=C/C2=CC3=C(C=C2)C=C(OC3=O)CCCO

InChI

InChI=1S/C20H17NO5/c22-10-2-5-18-13-16-9-8-15(12-19(16)20(23)26-18)7-6-14-3-1-4-17(11-14)21(24)25/h1,3-4,6-9,11-13,22H,2,5,10H2/b7-6+