4-[6,7-bis(chloranyl)-1-oxidanylidene-2-phenyl-2-prop-2-ynyl-3H-inden-5-yl]-5-oxidanyl-1H-pyrrole-2,3-dione; 1-methylpiperazine

Systemtic Name: 4-[6,7-bis(chloranyl)-1-oxidanylidene-2-phenyl-2-prop-2-ynyl-3H-inden-5-yl]-5-oxidanyl-1H-pyrrole-2,3-dione; 1-methylpiperazine Openeye Name: 4-(6,7-dichloro-1-oxo-2-phenyl-2-prop-2-ynyl-indan-5-yl)-5-hydroxy-1H-pyrrole-2,3-dione; 1-methylpiperazine CAS Name: 4-(6,7-dichloro-1-oxo-2-phenyl-2-prop-2-ynyl-3H-inden-5-yl)-5-hydroxy-1H-pyrrole-2,3-dione; 1-methylpiperazine IUPAC Name: 4-(6,7-dichloro-1-oxo-2-phenyl-2-prop-2-ynyl-3H-inden-5-yl)-5-hydroxy-1H-pyrrole-2,3-dione; 1-methylpiperazine Traditional Name: 4-(6,7-dichloro-1-keto-2-phenyl-2-propargyl-indan-5-yl)-5-hydroxy-2-pyrroline-2,3-quinone; 1-methylpiperazine Formula: C27H25Cl2N3O4 MolecularWeight: 526.4111

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCNCC1.C#CCC1(CC2=C(C1=O)C(=C(C(=C2)C3=C(NC(=O)C3=O)O)Cl)Cl)C4=CC=CC=C4

Isomeric SMILES

CN1CCNCC1.C#CCC1(CC2=C(C1=O)C(=C(C(=C2)C3=C(NC(=O)C3=O)O)Cl)Cl)C4=CC=CC=C4

InChI

InChI=1S/C22H13Cl2NO4.C5H12N2/c1-2-8-22(12-6-4-3-5-7-12)10-11-9-13(15-18(26)21(29)25-20(15)28)16(23)17(24)14(11)19(22)27;1-7-4-2-6-3-5-7/h1,3-7,9H,8,10H2,(H2,25,26,28,29);6H,2-5H2,1H3