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

Systemtic Name: 3-[(4-butylphenyl)amino]-4-chloranyl-1-(5-chloranyl-2-methoxy-phenyl)pyrrole-2,5-dione Openeye Name: 3-(4-butylanilino)-4-chloro-1-(5-chloro-2-methoxy-phenyl)pyrrole-2,5-dione CAS Name: 3-(4-butylanilino)-4-chloro-1-(5-chloro-2-methoxyphenyl)pyrrole-2,5-dione IUPAC Name: 3-(4-butylanilino)-4-chloro-1-(5-chloro-2-methoxyphenyl)pyrrole-2,5-dione Traditional Name: 3-(4-butylanilino)-4-chloro-1-(5-chloro-2-methoxy-phenyl)-3-pyrroline-2,5-quinone Formula: C21H20Cl2N2O3 MolecularWeight: 419.3011

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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=CC(=C3)Cl)OC)Cl

Isomeric SMILES

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

InChI

InChI=1S/C21H20Cl2N2O3/c1-3-4-5-13-6-9-15(10-7-13)24-19-18(23)20(26)25(21(19)27)16-12-14(22)8-11-17(16)28-2/h6-12,24H,3-5H2,1-2H3