ethyl 2-[(3-cyano-6-nitro-quinoxalin-2-yl)amino]ethanoate

Systemtic Name: ethyl 2-[(3-cyano-6-nitro-quinoxalin-2-yl)amino]ethanoate Openeye Name: ethyl 2-[(3-cyano-6-nitro-quinoxalin-2-yl)amino]acetate CAS Name: 2-[(3-cyano-6-nitro-2-quinoxalinyl)amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[(3-cyano-6-nitroquinoxalin-2-yl)amino]acetate Traditional Name: 2-[(3-cyano-6-nitro-quinoxalin-2-yl)amino]acetic acid ethyl ester Formula: C13H11N5O4 MolecularWeight: 301.25754

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CNC1=C(N=C2C=C(C=CC2=N1)[N+](=O)[O-])C#N

Isomeric SMILES

CCOC(=O)CNC1=C(N=C2C=C(C=CC2=N1)[N+](=O)[O-])C#N

InChI

InChI=1S/C13H11N5O4/c1-2-22-12(19)7-15-13-11(6-14)16-10-5-8(18(20)21)3-4-9(10)17-13/h3-5H,2,7H2,1H3,(H,15,17)