2-[[6-chloranyl-2-methyl-4-(3-nitrophenyl)-1-oxidanylidene-isoquinolin-3-yl]methyl]isoindole-1,3-dione

Systemtic Name: 2-[[6-chloranyl-2-methyl-4-(3-nitrophenyl)-1-oxidanylidene-isoquinolin-3-yl]methyl]isoindole-1,3-dione Openeye Name: 2-[[6-chloro-2-methyl-4-(3-nitrophenyl)-1-oxo-3-isoquinolyl]methyl]isoindoline-1,3-dione CAS Name: 2-[[6-chloro-2-methyl-4-(3-nitrophenyl)-1-oxo-3-isoquinolinyl]methyl]isoindole-1,3-dione IUPAC Name: 2-[[6-chloro-2-methyl-4-(3-nitrophenyl)-1-oxoisoquinolin-3-yl]methyl]isoindole-1,3-dione Traditional Name: 2-[[6-chloro-1-keto-2-methyl-4-(3-nitrophenyl)-3-isoquinolyl]methyl]isoindoline-1,3-quinone Formula: C25H16ClN3O5 MolecularWeight: 473.86464

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C2=C(C1=O)C=CC(=C2)Cl)C3=CC(=CC=C3)[N+](=O)[O-])CN4C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

CN1C(=C(C2=C(C1=O)C=CC(=C2)Cl)C3=CC(=CC=C3)[N+](=O)[O-])CN4C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C25H16ClN3O5/c1-27-21(13-28-24(31)17-7-2-3-8-18(17)25(28)32)22(14-5-4-6-16(11-14)29(33)34)20-12-15(26)9-10-19(20)23(27)30/h2-12H,13H2,1H3