N-(5-methyl-2-oxidanyl-phenyl)-3-[6-nitro-1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]benzamide

Systemtic Name: N-(5-methyl-2-oxidanyl-phenyl)-3-[6-nitro-1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]benzamide Openeye Name: N-(2-hydroxy-5-methyl-phenyl)-3-(6-nitro-1,3-dioxo-benzo[de]isoquinolin-2-yl)benzamide CAS Name: N-(2-hydroxy-5-methylphenyl)-3-(6-nitro-1,3-dioxo-2-benzo[de]isoquinolinyl)benzamide IUPAC Name: N-(2-hydroxy-5-methylphenyl)-3-(6-nitro-1,3-dioxobenzo[de]isoquinolin-2-yl)benzamide Traditional Name: 3-(1,3-diketo-6-nitro-benzo[de]isoquinolin-2-yl)-N-(2-hydroxy-5-methyl-phenyl)benzamide Formula: C26H17N3O6 MolecularWeight: 467.42968

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)O)NC(=O)C2=CC(=CC=C2)N3C(=O)C4=C5C(=C(C=C4)[N+](=O)[O-])C=CC=C5C3=O

Isomeric SMILES

CC1=CC(=C(C=C1)O)NC(=O)C2=CC(=CC=C2)N3C(=O)C4=C5C(=C(C=C4)[N+](=O)[O-])C=CC=C5C3=O

InChI

InChI=1S/C26H17N3O6/c1-14-8-11-22(30)20(12-14)27-24(31)15-4-2-5-16(13-15)28-25(32)18-7-3-6-17-21(29(34)35)10-9-19(23(17)18)26(28)33/h2-13,30H,1H3,(H,27,31)