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

Systemtic Name: N-[2-(2-azanyl-3-cyano-pyrrolo[3,2-b]quinoxalin-1-yl)ethyl]-3-nitro-benzamide Openeye Name: N-[2-(2-amino-3-cyano-pyrrolo[3,2-b]quinoxalin-1-yl)ethyl]-3-nitro-benzamide CAS Name: N-[2-(2-amino-3-cyano-1-pyrrolo[3,2-b]quinoxalinyl)ethyl]-3-nitrobenzamide IUPAC Name: N-[2-(2-amino-3-cyanopyrrolo[3,2-b]quinoxalin-1-yl)ethyl]-3-nitrobenzamide Traditional Name: N-[2-(2-amino-3-cyano-pyrrolo[3,2-b]quinoxalin-1-yl)ethyl]-3-nitro-benzamide Formula: C20H15N7O3 MolecularWeight: 401.3782

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C3C(=C(N(C3=N2)CCNC(=O)C4=CC(=CC=C4)[N+](=O)[O-])N)C#N

Isomeric SMILES

C1=CC=C2C(=C1)N=C3C(=C(N(C3=N2)CCNC(=O)C4=CC(=CC=C4)[N+](=O)[O-])N)C#N

InChI

InChI=1S/C20H15N7O3/c21-11-14-17-19(25-16-7-2-1-6-15(16)24-17)26(18(14)22)9-8-23-20(28)12-4-3-5-13(10-12)27(29)30/h1-7,10H,8-9,22H2,(H,23,28)