3-chloranyl-1-(2,3-dimethylphenyl)-4-[2-hydroxyethyl-(phenylmethyl)amino]pyrrole-2,5-dione

Systemtic Name: 3-chloranyl-1-(2,3-dimethylphenyl)-4-[2-hydroxyethyl-(phenylmethyl)amino]pyrrole-2,5-dione Openeye Name: 3-[benzyl(2-hydroxyethyl)amino]-4-chloro-1-(2,3-dimethylphenyl)pyrrole-2,5-dione CAS Name: 3-chloro-1-(2,3-dimethylphenyl)-4-[2-hydroxyethyl-(phenylmethyl)amino]pyrrole-2,5-dione IUPAC Name: 3-[benzyl(2-hydroxyethyl)amino]-4-chloro-1-(2,3-dimethylphenyl)pyrrole-2,5-dione Traditional Name: 3-[benzyl(2-hydroxyethyl)amino]-4-chloro-1-(2,3-dimethylphenyl)-3-pyrroline-2,5-quinone Formula: C21H21ClN2O3 MolecularWeight: 384.85604

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2C(=O)C(=C(C2=O)Cl)N(CCO)CC3=CC=CC=C3)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2C(=O)C(=C(C2=O)Cl)N(CCO)CC3=CC=CC=C3)C

InChI

InChI=1S/C21H21ClN2O3/c1-14-7-6-10-17(15(14)2)24-20(26)18(22)19(21(24)27)23(11-12-25)13-16-8-4-3-5-9-16/h3-10,25H,11-13H2,1-2H3