2-(3-chlorophenyl)-6-(3-oxidanylpropyl)benzo[de]isoquinoline-1,3-dione

Systemtic Name: 2-(3-chlorophenyl)-6-(3-oxidanylpropyl)benzo[de]isoquinoline-1,3-dione Openeye Name: 2-(3-chlorophenyl)-6-(3-hydroxypropyl)benzo[de]isoquinoline-1,3-dione CAS Name: 2-(3-chlorophenyl)-6-(3-hydroxypropyl)benzo[de]isoquinoline-1,3-dione IUPAC Name: 2-(3-chlorophenyl)-6-(3-hydroxypropyl)benzo[de]isoquinoline-1,3-dione Traditional Name: 2-(3-chlorophenyl)-6-(3-hydroxypropyl)benzo[de]isoquinoline-1,3-quinone Formula: C21H16ClNO3 MolecularWeight: 365.80964

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Cl)N2C(=O)C3=C4C(=C(C=C3)CCCO)C=CC=C4C2=O

Isomeric SMILES

C1=CC(=CC(=C1)Cl)N2C(=O)C3=C4C(=C(C=C3)CCCO)C=CC=C4C2=O

InChI

InChI=1S/C21H16ClNO3/c22-14-5-1-6-15(12-14)23-20(25)17-8-2-7-16-13(4-3-11-24)9-10-18(19(16)17)21(23)26/h1-2,5-10,12,24H,3-4,11H2