3-[(4-butylphenyl)amino]-4-chloranyl-1-(4-iodanyl-2-methyl-phenyl)pyrrole-2,5-dione

Systemtic Name: 3-[(4-butylphenyl)amino]-4-chloranyl-1-(4-iodanyl-2-methyl-phenyl)pyrrole-2,5-dione Openeye Name: 3-(4-butylanilino)-4-chloro-1-(4-iodo-2-methyl-phenyl)pyrrole-2,5-dione CAS Name: 3-(4-butylanilino)-4-chloro-1-(4-iodo-2-methylphenyl)pyrrole-2,5-dione IUPAC Name: 3-(4-butylanilino)-4-chloro-1-(4-iodo-2-methylphenyl)pyrrole-2,5-dione Traditional Name: 3-(4-butylanilino)-4-chloro-1-(4-iodo-2-methyl-phenyl)-3-pyrroline-2,5-quinone Formula: C21H20ClIN2O2 MolecularWeight: 494.75317

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC2=C(C(=O)N(C2=O)C3=C(C=C(C=C3)I)C)Cl

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC2=C(C(=O)N(C2=O)C3=C(C=C(C=C3)I)C)Cl

InChI

InChI=1S/C21H20ClIN2O2/c1-3-4-5-14-6-9-16(10-7-14)24-19-18(22)20(26)25(21(19)27)17-11-8-15(23)12-13(17)2/h6-12,24H,3-5H2,1-2H3