2-(2-azanyl-3-cyano-pyrrolo[3,2-b]quinoxalin-1-yl)ethyl 4-nitrobenzoate

Systemtic Name: 2-(2-azanyl-3-cyano-pyrrolo[3,2-b]quinoxalin-1-yl)ethyl 4-nitrobenzoate Openeye Name: 2-(2-amino-3-cyano-pyrrolo[3,2-b]quinoxalin-1-yl)ethyl 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid 2-(2-amino-3-cyano-1-pyrrolo[3,2-b]quinoxalinyl)ethyl ester IUPAC Name: 2-(2-amino-3-cyanopyrrolo[3,2-b]quinoxalin-1-yl)ethyl 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid 2-(2-amino-3-cyano-pyrrolo[3,2-b]quinoxalin-1-yl)ethyl ester Formula: C20H14N6O4 MolecularWeight: 402.36296

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H14N6O4/c21-11-14-17-19(24-16-4-2-1-3-15(16)23-17)25(18(14)22)9-10-30-20(27)12-5-7-13(8-6-12)26(28)29/h1-8H,9-10,22H2