N-[2-(3,5-dimethylphenyl)-3H-isoindol-1-ylidene]-3-nitro-4-pyrrolidin-1-yl-benzamide

Systemtic Name: N-[2-(3,5-dimethylphenyl)-3H-isoindol-1-ylidene]-3-nitro-4-pyrrolidin-1-yl-benzamide Openeye Name: N-[2-(3,5-dimethylphenyl)isoindolin-1-ylidene]-3-nitro-4-pyrrolidin-1-yl-benzamide CAS Name: N-[2-(3,5-dimethylphenyl)-3H-isoindol-1-ylidene]-3-nitro-4-(1-pyrrolidinyl)benzamide IUPAC Name: N-[2-(3,5-dimethylphenyl)-3H-isoindol-1-ylidene]-3-nitro-4-pyrrolidin-1-ylbenzamide Traditional Name: N-[2-(3,5-dimethylphenyl)isoindolin-1-ylidene]-3-nitro-4-pyrrolidino-benzamide Formula: C27H26N4O3 MolecularWeight: 454.52034

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N2CC3=CC=CC=C3C2=NC(=O)C4=CC(=C(C=C4)N5CCCC5)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=CC(=C1)N2CC3=CC=CC=C3C2=NC(=O)C4=CC(=C(C=C4)N5CCCC5)[N+](=O)[O-])C

InChI

InChI=1S/C27H26N4O3/c1-18-13-19(2)15-22(14-18)30-17-21-7-3-4-8-23(21)26(30)28-27(32)20-9-10-24(25(16-20)31(33)34)29-11-5-6-12-29/h3-4,7-10,13-16H,5-6,11-12,17H2,1-2H3