3-chloranyl-4-[2-(3,4-dimethoxyphenyl)ethylamino]-1-(phenylmethyl)pyrrole-2,5-dione

Systemtic Name: 3-chloranyl-4-[2-(3,4-dimethoxyphenyl)ethylamino]-1-(phenylmethyl)pyrrole-2,5-dione Openeye Name: 1-benzyl-3-chloro-4-[2-(3,4-dimethoxyphenyl)ethylamino]pyrrole-2,5-dione CAS Name: 3-chloro-4-[2-(3,4-dimethoxyphenyl)ethylamino]-1-(phenylmethyl)pyrrole-2,5-dione IUPAC Name: 1-benzyl-3-chloro-4-[2-(3,4-dimethoxyphenyl)ethylamino]pyrrole-2,5-dione Traditional Name: 1-benzyl-3-chloro-4-(homoveratrylamino)-3-pyrroline-2,5-quinone Formula: C21H21ClN2O4 MolecularWeight: 400.85544

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC2=C(C(=O)N(C2=O)CC3=CC=CC=C3)Cl)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC2=C(C(=O)N(C2=O)CC3=CC=CC=C3)Cl)OC

InChI

InChI=1S/C21H21ClN2O4/c1-27-16-9-8-14(12-17(16)28-2)10-11-23-19-18(22)20(25)24(21(19)26)13-15-6-4-3-5-7-15/h3-9,12,23H,10-11,13H2,1-2H3