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

Systemtic Name: N-[3-cyano-1-(2-methoxyethyl)pyrrolo[3,2-b]quinoxalin-2-yl]-3-nitro-benzamide Openeye Name: N-[3-cyano-1-(2-methoxyethyl)pyrrolo[3,2-b]quinoxalin-2-yl]-3-nitro-benzamide CAS Name: N-[3-cyano-1-(2-methoxyethyl)-2-pyrrolo[3,2-b]quinoxalinyl]-3-nitrobenzamide IUPAC Name: N-[3-cyano-1-(2-methoxyethyl)pyrrolo[3,2-b]quinoxalin-2-yl]-3-nitrobenzamide Traditional Name: N-[3-cyano-1-(2-methoxyethyl)pyrrolo[3,2-b]quinoxalin-2-yl]-3-nitro-benzamide Formula: C21H16N6O4 MolecularWeight: 416.38954

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1C(=C(C2=NC3=CC=CC=C3N=C21)C#N)NC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

COCCN1C(=C(C2=NC3=CC=CC=C3N=C21)C#N)NC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H16N6O4/c1-31-10-9-26-19(25-21(28)13-5-4-6-14(11-13)27(29)30)15(12-22)18-20(26)24-17-8-3-2-7-16(17)23-18/h2-8,11H,9-10H2,1H3,(H,25,28)