2-methyl-5-(3-nitro-4-pyrrolidin-1-yl-phenyl)carbonyl-isoindole-1,3-dione

Systemtic Name: 2-methyl-5-(3-nitro-4-pyrrolidin-1-yl-phenyl)carbonyl-isoindole-1,3-dione Openeye Name: 2-methyl-5-(3-nitro-4-pyrrolidin-1-yl-benzoyl)isoindoline-1,3-dione CAS Name: 2-methyl-5-[[3-nitro-4-(1-pyrrolidinyl)phenyl]-oxomethyl]isoindole-1,3-dione IUPAC Name: 2-methyl-5-(3-nitro-4-pyrrolidin-1-ylbenzoyl)isoindole-1,3-dione Traditional Name: 2-methyl-5-(3-nitro-4-pyrrolidino-benzoyl)isoindoline-1,3-quinone Formula: C20H17N3O5 MolecularWeight: 379.36608

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)C3=CC(=C(C=C3)N4CCCC4)[N+](=O)[O-]

Isomeric SMILES

CN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)C3=CC(=C(C=C3)N4CCCC4)[N+](=O)[O-]

InChI

InChI=1S/C20H17N3O5/c1-21-19(25)14-6-4-12(10-15(14)20(21)26)18(24)13-5-7-16(17(11-13)23(27)28)22-8-2-3-9-22/h4-7,10-11H,2-3,8-9H2,1H3