[2-[[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]amino]-2-oxidanylidene-ethyl] pyrazine-2-carboxylate

Systemtic Name: [2-[[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]amino]-2-oxidanylidene-ethyl] pyrazine-2-carboxylate Openeye Name: [2-[[2-(4-bromo-2-methyl-anilino)-2-oxo-ethyl]amino]-2-oxo-ethyl] pyrazine-2-carboxylate CAS Name: 2-pyrazinecarboxylic acid [2-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]amino]-2-oxoethyl] pyrazine-2-carboxylate Traditional Name: pyrazinic acid [2-[[2-(4-bromo-2-methyl-anilino)-2-keto-ethyl]amino]-2-keto-ethyl] ester Formula: C16H15BrN4O4 MolecularWeight: 407.2187

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NC(=O)CNC(=O)COC(=O)C2=NC=CN=C2

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC(=O)CNC(=O)COC(=O)C2=NC=CN=C2

InChI

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