4-chloranyl-N-[3-cyano-1-(phenylmethyl)pyrrolo[3,2-b]quinoxalin-2-yl]-3-nitro-benzamide

Systemtic Name: 4-chloranyl-N-[3-cyano-1-(phenylmethyl)pyrrolo[3,2-b]quinoxalin-2-yl]-3-nitro-benzamide Openeye Name: N-(1-benzyl-3-cyano-pyrrolo[3,2-b]quinoxalin-2-yl)-4-chloro-3-nitro-benzamide CAS Name: 4-chloro-N-[3-cyano-1-(phenylmethyl)-2-pyrrolo[3,2-b]quinoxalinyl]-3-nitrobenzamide IUPAC Name: N-(1-benzyl-3-cyanopyrrolo[3,2-b]quinoxalin-2-yl)-4-chloro-3-nitrobenzamide Traditional Name: N-(1-benzyl-3-cyano-pyrrolo[3,2-b]quinoxalin-2-yl)-4-chloro-3-nitro-benzamide Formula: C25H15ClN6O3 MolecularWeight: 482.878

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=C(C3=NC4=CC=CC=C4N=C32)C#N)NC(=O)C5=CC(=C(C=C5)Cl)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=C(C3=NC4=CC=CC=C4N=C32)C#N)NC(=O)C5=CC(=C(C=C5)Cl)[N+](=O)[O-]

InChI

InChI=1S/C25H15ClN6O3/c26-18-11-10-16(12-21(18)32(34)35)25(33)30-23-17(13-27)22-24(29-20-9-5-4-8-19(20)28-22)31(23)14-15-6-2-1-3-7-15/h1-12H,14H2,(H,30,33)