3-(azepan-1-yl)-4-chloranyl-1-(4-iodanyl-2-methyl-phenyl)pyrrole-2,5-dione

Systemtic Name: 3-(azepan-1-yl)-4-chloranyl-1-(4-iodanyl-2-methyl-phenyl)pyrrole-2,5-dione Openeye Name: 3-(azepan-1-yl)-4-chloro-1-(4-iodo-2-methyl-phenyl)pyrrole-2,5-dione CAS Name: 3-(1-azepanyl)-4-chloro-1-(4-iodo-2-methylphenyl)pyrrole-2,5-dione IUPAC Name: 3-(azepan-1-yl)-4-chloro-1-(4-iodo-2-methylphenyl)pyrrole-2,5-dione Traditional Name: 3-(azepan-1-yl)-4-chloro-1-(4-iodo-2-methyl-phenyl)-3-pyrroline-2,5-quinone Formula: C17H18ClIN2O2 MolecularWeight: 444.69449

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)I)N2C(=O)C(=C(C2=O)Cl)N3CCCCCC3

Isomeric SMILES

CC1=C(C=CC(=C1)I)N2C(=O)C(=C(C2=O)Cl)N3CCCCCC3

InChI

InChI=1S/C17H18ClIN2O2/c1-11-10-12(19)6-7-13(11)21-16(22)14(18)15(17(21)23)20-8-4-2-3-5-9-20/h6-7,10H,2-5,8-9H2,1H3