5-methyl-1-(4-morpholin-4-yl-3,5-dinitro-phenyl)carbonyl-indole-2,3-dione

Systemtic Name: 5-methyl-1-(4-morpholin-4-yl-3,5-dinitro-phenyl)carbonyl-indole-2,3-dione Openeye Name: 5-methyl-1-(4-morpholino-3,5-dinitro-benzoyl)indoline-2,3-dione CAS Name: 5-methyl-1-[[4-(4-morpholinyl)-3,5-dinitrophenyl]-oxomethyl]indole-2,3-dione IUPAC Name: 5-methyl-1-(4-morpholin-4-yl-3,5-dinitrobenzoyl)indole-2,3-dione Traditional Name: 5-methyl-1-(4-morpholino-3,5-dinitro-benzoyl)isatin Formula: C20H16N4O8 MolecularWeight: 440.36304

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(C(=O)C2=O)C(=O)C3=CC(=C(C(=C3)[N+](=O)[O-])N4CCOCC4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC2=C(C=C1)N(C(=O)C2=O)C(=O)C3=CC(=C(C(=C3)[N+](=O)[O-])N4CCOCC4)[N+](=O)[O-]

InChI

InChI=1S/C20H16N4O8/c1-11-2-3-14-13(8-11)18(25)20(27)22(14)19(26)12-9-15(23(28)29)17(16(10-12)24(30)31)21-4-6-32-7-5-21/h2-3,8-10H,4-7H2,1H3