[2-[[2,6-bis(bromanyl)-4-nitro-phenyl]amino]-2-oxidanylidene-ethyl] 3-azanylpyrazine-2-carboxylate

Systemtic Name: [2-[[2,6-bis(bromanyl)-4-nitro-phenyl]amino]-2-oxidanylidene-ethyl] 3-azanylpyrazine-2-carboxylate Openeye Name: [2-(2,6-dibromo-4-nitro-anilino)-2-oxo-ethyl] 3-aminopyrazine-2-carboxylate CAS Name: 3-amino-2-pyrazinecarboxylic acid [2-(2,6-dibromo-4-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,6-dibromo-4-nitroanilino)-2-oxoethyl] 3-aminopyrazine-2-carboxylate Traditional Name: 3-aminopyrazinic acid [2-(2,6-dibromo-4-nitro-anilino)-2-keto-ethyl] ester Formula: C13H9Br2N5O5 MolecularWeight: 475.04906

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=C(C(=N1)C(=O)OCC(=O)NC2=C(C=C(C=C2Br)[N+](=O)[O-])Br)N

Isomeric SMILES

C1=CN=C(C(=N1)C(=O)OCC(=O)NC2=C(C=C(C=C2Br)[N+](=O)[O-])Br)N

InChI

InChI=1S/C13H9Br2N5O5/c14-7-3-6(20(23)24)4-8(15)10(7)19-9(21)5-25-13(22)11-12(16)18-2-1-17-11/h1-4H,5H2,(H2,16,18)(H,19,21)