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

Systemtic Name: 2-(2-azanyl-3-cyano-pyrrolo[3,2-b]quinoxalin-1-yl)ethyl 3-bromanylbenzoate Openeye Name: 2-(2-amino-3-cyano-pyrrolo[3,2-b]quinoxalin-1-yl)ethyl 3-bromobenzoate CAS Name: 3-bromobenzoic 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 3-bromobenzoate Traditional Name: 3-bromobenzoic acid 2-(2-amino-3-cyano-pyrrolo[3,2-b]quinoxalin-1-yl)ethyl ester Formula: C20H14BrN5O2 MolecularWeight: 436.26146

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C3C(=C(N(C3=N2)CCOC(=O)C4=CC(=CC=C4)Br)N)C#N

Isomeric SMILES

C1=CC=C2C(=C1)N=C3C(=C(N(C3=N2)CCOC(=O)C4=CC(=CC=C4)Br)N)C#N

InChI

InChI=1S/C20H14BrN5O2/c21-13-5-3-4-12(10-13)20(27)28-9-8-26-18(23)14(11-22)17-19(26)25-16-7-2-1-6-15(16)24-17/h1-7,10H,8-9,23H2