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

Systemtic Name: 1-(4-butylphenyl)-3-chloranyl-4-[(5-methyl-2-oxidanyl-phenyl)amino]pyrrole-2,5-dione Openeye Name: 1-(4-butylphenyl)-3-chloro-4-(2-hydroxy-5-methyl-anilino)pyrrole-2,5-dione CAS Name: 1-(4-butylphenyl)-3-chloro-4-(2-hydroxy-5-methylanilino)pyrrole-2,5-dione IUPAC Name: 1-(4-butylphenyl)-3-chloro-4-(2-hydroxy-5-methylanilino)pyrrole-2,5-dione Traditional Name: 1-(4-butylphenyl)-3-chloro-4-(2-hydroxy-5-methyl-anilino)-3-pyrroline-2,5-quinone Formula: C21H21ClN2O3 MolecularWeight: 384.85604

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)N2C(=O)C(=C(C2=O)Cl)NC3=C(C=CC(=C3)C)O

Isomeric SMILES

CCCCC1=CC=C(C=C1)N2C(=O)C(=C(C2=O)Cl)NC3=C(C=CC(=C3)C)O

InChI

InChI=1S/C21H21ClN2O3/c1-3-4-5-14-7-9-15(10-8-14)24-20(26)18(22)19(21(24)27)23-16-12-13(2)6-11-17(16)25/h6-12,23,25H,3-5H2,1-2H3