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

Systemtic Name: 3-[(4-butylphenyl)amino]-4-chloranyl-1-(4-phenoxyphenyl)pyrrole-2,5-dione Openeye Name: 3-(4-butylanilino)-4-chloro-1-(4-phenoxyphenyl)pyrrole-2,5-dione CAS Name: 3-(4-butylanilino)-4-chloro-1-(4-phenoxyphenyl)pyrrole-2,5-dione IUPAC Name: 3-(4-butylanilino)-4-chloro-1-(4-phenoxyphenyl)pyrrole-2,5-dione Traditional Name: 3-(4-butylanilino)-4-chloro-1-(4-phenoxyphenyl)-3-pyrroline-2,5-quinone Formula: C26H23ClN2O3 MolecularWeight: 446.92542

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC2=C(C(=O)N(C2=O)C3=CC=C(C=C3)OC4=CC=CC=C4)Cl

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC2=C(C(=O)N(C2=O)C3=CC=C(C=C3)OC4=CC=CC=C4)Cl

InChI

InChI=1S/C26H23ClN2O3/c1-2-3-7-18-10-12-19(13-11-18)28-24-23(27)25(30)29(26(24)31)20-14-16-22(17-15-20)32-21-8-5-4-6-9-21/h4-6,8-17,28H,2-3,7H2,1H3