[2-[[2-[(2-bromophenyl)amino]-2-oxidanylidene-ethyl]-methyl-amino]-2-oxidanylidene-ethyl] pyrazine-2-carboxylate

Systemtic Name: [2-[[2-[(2-bromophenyl)amino]-2-oxidanylidene-ethyl]-methyl-amino]-2-oxidanylidene-ethyl] pyrazine-2-carboxylate Openeye Name: [2-[[2-(2-bromoanilino)-2-oxo-ethyl]-methyl-amino]-2-oxo-ethyl] pyrazine-2-carboxylate CAS Name: 2-pyrazinecarboxylic acid [2-[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] ester IUPAC Name: [2-[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] pyrazine-2-carboxylate Traditional Name: pyrazinic acid [2-[[2-(2-bromoanilino)-2-keto-ethyl]-methyl-amino]-2-keto-ethyl] ester Formula: C16H15BrN4O4 MolecularWeight: 407.2187

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)NC1=CC=CC=C1Br)C(=O)COC(=O)C2=NC=CN=C2

Isomeric SMILES

CN(CC(=O)NC1=CC=CC=C1Br)C(=O)COC(=O)C2=NC=CN=C2

InChI

InChI=1S/C16H15BrN4O4/c1-21(9-14(22)20-12-5-3-2-4-11(12)17)15(23)10-25-16(24)13-8-18-6-7-19-13/h2-8H,9-10H2,1H3,(H,20,22)