N-[3-cyano-1-[(2S)-2-ethylhexyl]pyrrolo[3,2-b]quinoxalin-2-yl]-3-nitro-benzamide

Systemtic Name: N-[3-cyano-1-[(2S)-2-ethylhexyl]pyrrolo[3,2-b]quinoxalin-2-yl]-3-nitro-benzamide Openeye Name: N-[3-cyano-1-[(2S)-2-ethylhexyl]pyrrolo[3,2-b]quinoxalin-2-yl]-3-nitro-benzamide CAS Name: N-[3-cyano-1-[(2S)-2-ethylhexyl]-2-pyrrolo[3,2-b]quinoxalinyl]-3-nitrobenzamide IUPAC Name: N-[3-cyano-1-[(2S)-2-ethylhexyl]pyrrolo[3,2-b]quinoxalin-2-yl]-3-nitrobenzamide Traditional Name: N-[3-cyano-1-[(2S)-2-ethylhexyl]pyrrolo[3,2-b]quinoxalin-2-yl]-3-nitro-benzamide Formula: C26H26N6O3 MolecularWeight: 470.52304

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CN1C(=C(C2=NC3=CC=CC=C3N=C21)C#N)NC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CCCC[C@H](CC)CN1C(=C(C2=NC3=CC=CC=C3N=C21)C#N)NC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C26H26N6O3/c1-3-5-9-17(4-2)16-31-24(30-26(33)18-10-8-11-19(14-18)32(34)35)20(15-27)23-25(31)29-22-13-7-6-12-21(22)28-23/h6-8,10-14,17H,3-5,9,16H2,1-2H3,(H,30,33)/t17-/m0/s1