methyl 2-cyano-2-[3-[[2-(4-nitrophenyl)-2-oxidanyl-ethyl]amino]quinoxalin-2-yl]ethanoate

Systemtic Name: methyl 2-cyano-2-[3-[[2-(4-nitrophenyl)-2-oxidanyl-ethyl]amino]quinoxalin-2-yl]ethanoate Openeye Name: methyl 2-cyano-2-[3-[[2-hydroxy-2-(4-nitrophenyl)ethyl]amino]quinoxalin-2-yl]acetate CAS Name: 2-cyano-2-[3-[[2-hydroxy-2-(4-nitrophenyl)ethyl]amino]-2-quinoxalinyl]acetic acid methyl ester IUPAC Name: methyl 2-cyano-2-[3-[[2-hydroxy-2-(4-nitrophenyl)ethyl]amino]quinoxalin-2-yl]acetate Traditional Name: 2-cyano-2-[3-[[2-hydroxy-2-(4-nitrophenyl)ethyl]amino]quinoxalin-2-yl]acetic acid methyl ester Formula: C20H17N5O5 MolecularWeight: 407.37948

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C#N)C1=NC2=CC=CC=C2N=C1NCC(C3=CC=C(C=C3)[N+](=O)[O-])O

Isomeric SMILES

COC(=O)C(C#N)C1=NC2=CC=CC=C2N=C1NCC(C3=CC=C(C=C3)[N+](=O)[O-])O

InChI

InChI=1S/C20H17N5O5/c1-30-20(27)14(10-21)18-19(24-16-5-3-2-4-15(16)23-18)22-11-17(26)12-6-8-13(9-7-12)25(28)29/h2-9,14,17,26H,11H2,1H3,(H,22,24)