4-[[[(2S)-1-ethylpyrrolidin-2-yl]methylamino]methylidene]-2-(2-nitrophenyl)isoquinoline-1,3-dione

Systemtic Name: 4-[[[(2S)-1-ethylpyrrolidin-2-yl]methylamino]methylidene]-2-(2-nitrophenyl)isoquinoline-1,3-dione Openeye Name: 4-[[[(2S)-1-ethylpyrrolidin-2-yl]methylamino]methylene]-2-(2-nitrophenyl)isoquinoline-1,3-dione CAS Name: 4-[[[(2S)-1-ethyl-2-pyrrolidinyl]methylamino]methylidene]-2-(2-nitrophenyl)isoquinoline-1,3-dione IUPAC Name: 4-[[[(2S)-1-ethylpyrrolidin-2-yl]methylamino]methylidene]-2-(2-nitrophenyl)isoquinoline-1,3-dione Traditional Name: 4-[[[(2S)-1-ethylpyrrolidin-2-yl]methylamino]methylene]-2-(2-nitrophenyl)isoquinoline-1,3-quinone Formula: C23H24N4O4 MolecularWeight: 420.46106

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCCC1CNC=C2C3=CC=CC=C3C(=O)N(C2=O)C4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

CCN1CCC[C@H]1CNC=C2C3=CC=CC=C3C(=O)N(C2=O)C4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C23H24N4O4/c1-2-25-13-7-8-16(25)14-24-15-19-17-9-3-4-10-18(17)22(28)26(23(19)29)20-11-5-6-12-21(20)27(30)31/h3-6,9-12,15-16,24H,2,7-8,13-14H2,1H3/t16-/m0/s1