6-[(4-chlorophenyl)amino]-2-(3-methoxypropyl)-5-nitro-benzo[de]isoquinoline-1,3-dione

Systemtic Name: 6-[(4-chlorophenyl)amino]-2-(3-methoxypropyl)-5-nitro-benzo[de]isoquinoline-1,3-dione Openeye Name: 6-(4-chloroanilino)-2-(3-methoxypropyl)-5-nitro-benzo[de]isoquinoline-1,3-dione CAS Name: 6-(4-chloroanilino)-2-(3-methoxypropyl)-5-nitrobenzo[de]isoquinoline-1,3-dione IUPAC Name: 6-(4-chloroanilino)-2-(3-methoxypropyl)-5-nitrobenzo[de]isoquinoline-1,3-dione Traditional Name: 6-(4-chloroanilino)-2-(3-methoxypropyl)-5-nitro-benzo[de]isoquinoline-1,3-quinone Formula: C22H18ClN3O5 MolecularWeight: 439.84842

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Descriptors Computed from Structure

Canonical SMILES:

COCCCN1C(=O)C2=CC=CC3=C2C(=CC(=C3NC4=CC=C(C=C4)Cl)[N+](=O)[O-])C1=O

Isomeric SMILES

COCCCN1C(=O)C2=CC=CC3=C2C(=CC(=C3NC4=CC=C(C=C4)Cl)[N+](=O)[O-])C1=O

InChI

InChI=1S/C22H18ClN3O5/c1-31-11-3-10-25-21(27)16-5-2-4-15-19(16)17(22(25)28)12-18(26(29)30)20(15)24-14-8-6-13(23)7-9-14/h2,4-9,12,24H,3,10-11H2,1H3