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

Systemtic Name: 6-[(3-chlorophenyl)amino]-2-(3-methoxypropyl)-5-nitro-benzo[de]isoquinoline-1,3-dione Openeye Name: 6-(3-chloroanilino)-2-(3-methoxypropyl)-5-nitro-benzo[de]isoquinoline-1,3-dione CAS Name: 6-(3-chloroanilino)-2-(3-methoxypropyl)-5-nitrobenzo[de]isoquinoline-1,3-dione IUPAC Name: 6-(3-chloroanilino)-2-(3-methoxypropyl)-5-nitrobenzo[de]isoquinoline-1,3-dione Traditional Name: 6-(3-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(=CC=C4)Cl)[N+](=O)[O-])C1=O

Isomeric SMILES

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

InChI

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